Geometry & MOs

Info

ID:	19308
PubChem CID:	560733
Reduced:	SN3O6H17C21 (1)
Stoich.:	AB3C6D17E21 (1)
Weight, g/mol:	439.083806
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	9.95
IP(EA), eV:	-9.64(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) 4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations