Geometry & MOs

Info

ID:	195155
PubChem CID:	78644762
Reduced:	S2N4O4C17H26 (1)
Stoich.:	A2B4C4D17E26 (1)
Weight, g/mol:	388.215078
ΔH_f, kcal/mol:	-162.17
Dipole, Da:	7.25
IP(EA), eV:	-9.58(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-ethylphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations