Geometry & MOs

Info

ID:	34162
PubChem CID:	7890126
Reduced:	SN3O4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	335.067284
ΔH_f, kcal/mol:	-49.7
Dipole, Da:	7.65
IP(EA), eV:	-9.16(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

DOS

IR

Vibrations