Geometry & MOs

Info

ID:	12595
PubChem CID:	141408
Reduced:	C27H46 (1)
Stoich.:	A27B46 (1)
Weight, g/mol:	370.359951
ΔH_f, kcal/mol:	-18.77
Dipole, Da:	1.6
IP(EA), eV:	-8.05(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)C1CC[C@@H]2C1(CC[C@H]3C2C=CC4C3(CCCC4)C)C

DOS

IR

Vibrations