Geometry & MOs

Info

ID:	307672
PubChem CID:	125307974
Reduced:	SO2N4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-32.08
Dipole, Da:	7.86
IP(EA), eV:	-9.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7S,8S,9S,13S,14R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CS[C@@H]3C2=NC(=NC3=O)N4CCC[C@@H](C4)C(=O)NCCC(C)C

DOS

IR

Vibrations