Geometry & MOs

Info

ID:	146439
PubChem CID:	53688849
Reduced:	PC19H41 (1)
Stoich.:	AB19C41 (1)
Weight, g/mol:	382.215552
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	1.64
IP(EA), eV:	-8.88(3.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(8S,9S,10R,11S,13S,14S,17R)-6-fluoro-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCPC

DOS

IR

Vibrations