Geometry & MOs

Info

ID:	394234
PubChem CID:	135022569
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	407.207214
ΔH_f, kcal/mol:	-73.91
Dipole, Da:	1.85
IP(EA), eV:	-9.21(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CC=C(C=C1)C=C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations