Geometry & MOs

Info

ID:	25272
PubChem CID:	622087
Reduced:	NOC20H23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	401.220223
ΔH_f, kcal/mol:	-6.3
Dipole, Da:	2.68
IP(EA), eV:	-9.4(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15-acetamido-14-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CCCC1C(NC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations