Geometry & MOs

Info

ID:	127631
PubChem CID:	51009303
Reduced:	IO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	500.350175
ΔH_f, kcal/mol:	-44.38
Dipole, Da:	3.52
IP(EA), eV:	-9.0(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,10R,13S)-3-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-7-yl] decanoate

Drug info:

PubChemData

Smile

C1CCOC(C1)OCCCCC2=C([C@@H]3C[C@@H]2C=C3)I

DOS

IR

Vibrations