Geometry & MOs

Info

ID:	315874
PubChem CID:	126629226
Reduced:	O5N6C33H46 (1)
Stoich.:	A5B6C33D46 (1)
Weight, g/mol:	618.352969
ΔH_f, kcal/mol:	-172.93
Dipole, Da:	10.83
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,11S,14S,18E)-1'-ethyl-2,11-dimethyl-14-propan-2-ylspiro[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]-4,10,13,16-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

CCN1CC/C=C/C2=CC3=C(C=C2)C=CC(=N3)[C@H](OC(=O)[C@@H]4CCCN(N4)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC1)C(C)C)C)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

CCN1CC/C=C/C2=CC3=C(C=C2)C=CC(=N3)[C@H](OC(=O)[C@@H]4CCCN(N4)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC1)C(C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):