Geometry & MOs

Info

ID:	389030
PubChem CID:	134990933
Reduced:	NO2S2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	500.350175
ΔH_f, kcal/mol:	-16.84
Dipole, Da:	5.59
IP(EA), eV:	-8.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(7R,8R,9S,10R,13S,14S,17S)-17-acetyloxy-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]nonyl acetate

Drug info:

PubChemData

Smile

CC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)C

DOS

IR

Vibrations