Geometry & MOs

Info

ID:	80720
PubChem CID:	49836396
Reduced:	ClSO2N4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	436.101899
ΔH_f, kcal/mol:	21.49
Dipole, Da:	6.92
IP(EA), eV:	-8.31(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-2-[(3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=CC3=C(NN=C23)S(=O)(=O)C4=CC=CC5=CC=CC=C54)Cl

DOS

IR

Vibrations