Geometry & MOs

Info

ID:	79936
PubChem CID:	49831533
Reduced:	N2O6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	-244.24
Dipole, Da:	3.47
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,4bS,7S,8aS,10aS)-7-(1,2-dihydroxyethyl)-4b,7,10a-trimethyl-1-methylidene-4,4a,5,6,8,8a,9,10-octahydro-3H-phenanthren-2-one

Drug info:

PubChemData

Smile

COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)O)N2C3=CC=CC=C3NC2=O

DOS

IR

Vibrations