Geometry & MOs

Info

ID:	194840
PubChem CID:	78596856
Reduced:	BrClN2O2H14C16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	396.065904
ΔH_f, kcal/mol:	-10.6
Dipole, Da:	1.43
IP(EA), eV:	-9.45(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-butan-2-ylidenehydrazinyl)-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)COC1=CC(=CC=C1)Br)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations