Geometry & MOs

Info

ID:	54796
PubChem CID:	17389290
Reduced:	BrSN3O3H14C17 (1)
Stoich.:	ABC3D3E14F17 (1)
Weight, g/mol:	388.068681
ΔH_f, kcal/mol:	17.68
Dipole, Da:	8.0
IP(EA), eV:	-9.07(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzotriazol-1-yl)-N'-[(Z)-(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]propanehydrazide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].Br

DOS

IR

Vibrations