Geometry & MOs

Info

ID:

144156

PubChem CID:

53323473

Reduced:

O4N8C37H52 (1)

Stoich.:

A4B8C37D52 (1)

Weight, g/mol:

434.24571

ΔHf, kcal/mol:

-127.48

Dipole, Da:

4.27

IP(EA), eV:

 -7.87(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6aS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,7,8a,11,14a-hexamethyl-6a,8,9,11,12,12a,13,14-octahydropicene-2,6,10-trione

Drug info:

PubChemData

Smile

CC(CCCNC(=O)[C@H](CCCCN)NC(=O)NCCCC(C)NC1=C2C(=CC(=C1)OC)C=CC=N2)NC3=C4C(=CC(=C3)OC)C=CC=N4

DOS

IR

Vibrations