Geometry & MOs

Info

ID:	34172
PubChem CID:	7890161
Reduced:	N3O5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	337.087412
ΔH_f, kcal/mol:	-90.43
Dipole, Da:	7.78
IP(EA), eV:	-8.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

DOS

IR

Vibrations