Geometry & MOs

Info

ID:	391471
PubChem CID:	135005535
Reduced:	O5C12H20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	362.209324
ΔH_f, kcal/mol:	-229.46
Dipole, Da:	3.7
IP(EA), eV:	-10.24(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,4bS,5R,8R,8aS,10aS)-10a-formyl-5-methoxy-2,4b,8-trimethyl-10-oxo-4,4a,5,6,7,8,8a,9-octahydro-1H-phenanthren-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCC(C(C)C=O)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations