Geometry & MOs

Info

ID:	406275
PubChem CID:	135077113
Reduced:	OH24C25 (1)
Stoich.:	AB24C25 (1)
Weight, g/mol:	464.18443
ΔH_f, kcal/mol:	47.47
Dipole, Da:	1.36
IP(EA), eV:	-9.35(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

C=C(C1=CC=CC=C1)C2(CCC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations