Geometry & MOs

Info

ID:	316181
PubChem CID:	126630320
Reduced:	N5O6C31H43 (1)
Stoich.:	A5B6C31D43 (1)
Weight, g/mol:	633.352634
ΔH_f, kcal/mol:	-208.68
Dipole, Da:	5.27
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S,14S,18E)-2,17,17-trimethyl-11-(oxan-4-ylmethyl)-14-propan-2-yl-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-4,10,13,16-tetrone

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]1C2=NC3=C(C=CC(=C3)/C=C/C(C(N[C@H](C(=O)N[C@@H](C(=O)N4CCC[C@H](N4)C(=O)O1)COC)C(C)C)O)(C)C)C=C2

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]1C2=NC3=C(C=CC(=C3)/C=C/C(C(N[C@H](C(=O)N[C@@H](C(=O)N4CCC[C@H](N4)C(=O)O1)COC)C(C)C)O)(C)C)C=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):