Geometry & MOs

Info

ID:	381175
PubChem CID:	134971826
Reduced:	C27H46 (1)
Stoich.:	A27B46 (1)
Weight, g/mol:	404.365431
ΔH_f, kcal/mol:	-25.71
Dipole, Da:	1.83
IP(EA), eV:	-8.09(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,5S,10S,13R)-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

Drug info:

PubChemData

Smile

CCCCCCCCC1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC=CC4)C)C

DOS

IR

Vibrations