Geometry & MOs

Info

ID:	217749
PubChem CID:	85088321
Reduced:	OSC26H34 (1)
Stoich.:	ABC26D34 (1)
Weight, g/mol:	394.359951
ΔH_f, kcal/mol:	-35.76
Dipole, Da:	1.83
IP(EA), eV:	-8.43(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,13-dimethyl-17-(4,5,6-trimethylheptan-2-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

CCCCC(C)SC12CCCC1(CCO2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations