Geometry & MOs

Info

ID:	31832
PubChem CID:	3720742
Reduced:	ClOSN5C21H22 (1)
Stoich.:	ABCD5E21F22 (1)
Weight, g/mol:	601.003275
ΔH_f, kcal/mol:	56.01
Dipole, Da:	6.06
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=CC=C3)Cl

DOS

IR

Vibrations