Geometry & MOs

Info

ID:	315871
PubChem CID:	126629203
Reduced:	N5O6C32H43 (1)
Stoich.:	A5B6C32D43 (1)
Weight, g/mol:	674.340353
ΔH_f, kcal/mol:	-154.46
Dipole, Da:	6.94
IP(EA), eV:	-8.59(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S,11S,14S,18E)-13-hydroxy-2,11-dimethyl-14-propan-2-yl-1'-(2,2,2-trifluoroethyl)spiro[3-oxa-9,12,15,26,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20(28),21,23(27),24-hexaene-17,4'-piperidine]-4,10,16-trione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1C(=O)N2CCCC(N2)C(=O)O[C@@H](C3=C(C=C4C=CC(=CC4=N3)/C=C/C(C(=O)N[C@H](C(=O)N1)C(C)C)(C)C)COC)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1C(=O)N2CCCC(N2)C(=O)O[C@@H](C3=C(C=C4C=CC(=CC4=N3)/C=C/C(C(=O)N[C@H](C(=O)N1)C(C)C)(C)C)COC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):