Geometry & MOs

Info

ID:	34247
PubChem CID:	7890469
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	335.067284
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	5.42
IP(EA), eV:	-9.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations