Geometry & MOs

Info

ID:	18209
PubChem CID:	538916
Reduced:	O2C27H46 (1)
Stoich.:	A2B27C46 (1)
Weight, g/mol:	402.349781
ΔH_f, kcal/mol:	74.11
Dipole, Da:	1.44
IP(EA), eV:	-6.59(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1C(CC2C1(CCC3C2C=CC4C3(CCC(C4)O)C)C)O

DOS

IR

Vibrations