Geometry & MOs

Info

ID:	307981
PubChem CID:	125311138
Reduced:	SN3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	350.24571
ΔH_f, kcal/mol:	-174.02
Dipole, Da:	7.77
IP(EA), eV:	-9.04(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,8S,9R,10S,13S,14S)-14-hydroxy-3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC1=C(N[C@@H](SC1)[C@H](C(=O)N[C@H](C2=CC=CC=C2)C(=O)O)N)C(=O)O

DOS

IR

Vibrations