Geometry & MOs

Info

ID:	80018
PubChem CID:	49832236
Reduced:	SO3F4N5H23C24 (1)
Stoich.:	AB3C4D5E23F24 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-243.93
Dipole, Da:	6.87
IP(EA), eV:	-9.08(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-4-[(2-morpholin-4-yl-2-phenylacetyl)amino]benzamide

Drug info:

PubChemData

Smile

CNC1=NC(=CC(=N1)C2=CC=C(C=C2)C(F)(F)F)CNC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations