Geometry & MOs

Info

ID:	61326
PubChem CID:	26708200
Reduced:	NF2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	323.071762
ΔH_f, kcal/mol:	-164.61
Dipole, Da:	4.17
IP(EA), eV:	-9.02(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)F)F)NC(=O)/C=C/C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations