Geometry & MOs

Info

ID:	317927
PubChem CID:	126647784
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	435.298473
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	0.42
IP(EA), eV:	-9.43(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3R,5S,7R,8S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoylamino]acetic acid

Drug info:

PubChemData

Smile

CO[C@@H](C=C)OCC1=CC=CC=C1

DOS

IR

Vibrations