Geometry & MOs

Info

ID:	149968
PubChem CID:	53789651
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	526.13549
ΔH_f, kcal/mol:	-14.53
Dipole, Da:	1.52
IP(EA), eV:	-8.34(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,17S)-17-(2-bromoacetyl)oxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC(=C(C=C1)OC(C)(C)C)C2=C(C=CC(=C2)C#N)C#N

DOS

IR

Vibrations