Geometry & MOs

Info

ID:	217492
PubChem CID:	85087899
Reduced:	SCl2N2O2C16H16 (1)
Stoich.:	AB2C2D2E16F16 (1)
Weight, g/mol:	368.063108
ΔH_f, kcal/mol:	-69.4
Dipole, Da:	4.95
IP(EA), eV:	-9.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(6-nitro-2,3-dioxoquinoxalin-1-ium-1-yl)carbamoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC2C(S1)NC(=O)N(C2=O)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations