Geometry & MOs

Info

ID:	151478
PubChem CID:	53812488
Reduced:	SO5H20C21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-138.2
Dipole, Da:	7.07
IP(EA), eV:	-9.32(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C1=C(C3=CC=CC=C3)S(=O)(=O)C)C=CC(=C2)OC)CC(=O)O

DOS

IR

Vibrations