Geometry & MOs

Info

ID:	27189
PubChem CID:	819258
Reduced:	SCl2O2H4C9 (1)
Stoich.:	AB2C2D4E9 (1)
Weight, g/mol:	284.09094
ΔH_f, kcal/mol:	-55.18
Dipole, Da:	5.44
IP(EA), eV:	-9.22(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)-N-(pyridin-2-ylmethylideneamino)acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)C(=C(S2)C(=O)O)Cl

DOS

IR

Vibrations