Geometry & MOs

Info

ID:	123098
PubChem CID:	50832928
Reduced:	SN2O4C27H28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	488.161518
ΔH_f, kcal/mol:	-74.23
Dipole, Da:	4.94
IP(EA), eV:	-9.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3)CN(C4=CC=CC=C4)C(=O)C5CC5

DOS

IR

Vibrations