Geometry & MOs

Info

ID:	170306
PubChem CID:	75215394
Reduced:	BrSO4N8C21H21 (1)
Stoich.:	ABC4D8E21F21 (1)
Weight, g/mol:	454.96992
ΔH_f, kcal/mol:	63.12
Dipole, Da:	7.19
IP(EA), eV:	-8.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-fluoro-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=NNS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(C)CCC2=CN=CN2)C3=C4C=C(C=CN4N=C3)Br

DOS

IR

Vibrations