Geometry & MOs

Info

ID:	167950
PubChem CID:	74904145
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	637.14382
ΔH_f, kcal/mol:	-83.11
Dipole, Da:	5.97
IP(EA), eV:	-9.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC=C(C#N)C(=O)OC

DOS

IR

Vibrations