Geometry & MOs

Info

ID:	18433
PubChem CID:	540919
Reduced:	O5C21H32 (1)
Stoich.:	A5B21C32 (1)
Weight, g/mol:	364.224974
ΔH_f, kcal/mol:	-275.23
Dipole, Da:	1.7
IP(EA), eV:	-9.96(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(7-acetyloxy-4b-methyl-2-oxo-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)propanoate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1)CCC3C2CCC(=O)C3CCC(=O)OC)C

DOS

IR

Vibrations