Geometry & MOs

Info

ID:	217443
PubChem CID:	85087829
Reduced:	O3C10H14 (2)
Stoich.:	A3B10C14 (2)
Weight, g/mol:	364.221387
ΔH_f, kcal/mol:	-264.07
Dipole, Da:	4.63
IP(EA), eV:	-9.58(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(1,1-difluoropropan-2-ylidene)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-16-one

Drug info:

PubChemData

Smile

CC1(OC2=C(CC3C2(CCC3OC(=O)OC)CCCCC=C)C(=O)O1)C

DOS

IR

Vibrations