Geometry & MOs

Info

ID:	5790
PubChem CID:	13791
Reduced:	O3C23H32 (1)
Stoich.:	A3B23C32 (1)
Weight, g/mol:	356.235145
ΔH_f, kcal/mol:	-165.84
Dipole, Da:	0.99
IP(EA), eV:	-8.69(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations