Geometry & MOs

Info

ID:	390385
PubChem CID:	134998867
Reduced:	O5C12H24 (1)
Stoich.:	A5B12C24 (1)
Weight, g/mol:	362.209324
ΔH_f, kcal/mol:	-264.04
Dipole, Da:	4.15
IP(EA), eV:	-10.26(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,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

CCC(C)[C@@H]1[C@H]([C@@H]([C@H]([C@H]([C@]1(C)CO)O)O)O)O

DOS

IR

Vibrations