Geometry & MOs

Info

ID:	243576
PubChem CID:	99226933
Reduced:	F2N2O4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	423.123049
ΔH_f, kcal/mol:	-144.81
Dipole, Da:	5.77
IP(EA), eV:	-9.72(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-5-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=C(C=CC=C1F)F)NC(=O)C2=C(C=CC(=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations