Geometry & MOs

Info

ID:	167954
PubChem CID:	74904907
Reduced:	ISN3O3C24H24 (1)
Stoich.:	ABC3D3E24F24 (1)
Weight, g/mol:	513.11252
ΔH_f, kcal/mol:	-18.46
Dipole, Da:	7.21
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C(C)C2=CC=C(C=C2)I)C3=CC=CC=C3C

DOS

IR

Vibrations