Geometry & MOs

Info

ID:	89338
PubChem CID:	49960551
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	514.210387
ΔH_f, kcal/mol:	-3.86
Dipole, Da:	2.98
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-1-[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydroquinoxalin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)NC(=S)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations