Geometry & MOs

Info

ID:	139016
PubChem CID:	52457967
Reduced:	ClN2O6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	416.95495
ΔH_f, kcal/mol:	-115.66
Dipole, Da:	4.3
IP(EA), eV:	-8.68(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])Cl)OC

DOS

IR

Vibrations