Geometry & MOs

Info

ID:	2666
PubChem CID:	8225
Reduced:	OC6H8 (4)
Stoich.:	AB6C8 (4)
Weight, g/mol:	384.23006
ΔH_f, kcal/mol:	-206.98
Dipole, Da:	3.08
IP(EA), eV:	-8.9(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CC)C

DOS

IR

Vibrations