Geometry & MOs

Info

ID:	243575
PubChem CID:	99226931
Reduced:	FON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	350.107813
ΔH_f, kcal/mol:	16.69
Dipole, Da:	3.37
IP(EA), eV:	-8.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-5-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C3=CC=CC=C3CN2C1)C(=O)C4=NN(C=C4)C5=CC(=CC=C5)F

DOS

IR

Vibrations