Geometry & MOs

Info

ID:	318008
PubChem CID:	126648330
Reduced:	O4C5H10 (2)
Stoich.:	A4B5C10 (2)
Weight, g/mol:	416.329045
ΔH_f, kcal/mol:	-356.17
Dipole, Da:	5.88
IP(EA), eV:	-9.87(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCO[C@@]([C@@](C)(O)OC)([C@@]([C@@H](C=O)O)(O)OC)O

DOS

IR

Vibrations