Geometry & MOs

Info

ID:	424163
PubChem CID:	135121569
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	412.110232
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	5.47
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-4-[[(3-chloro-4-fluorophenyl)carbamoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N1CC(=O)N(C2=CC=CC=C21)CC(=O)NN=CC3=CC=C(C=C3)OC

DOS

IR

Vibrations