Geometry & MOs

Info

ID:	123368
PubChem CID:	50844156
Reduced:	ClOSN3C17H20 (1)
Stoich.:	ABCD3E17F20 (1)
Weight, g/mol:	377.153955
ΔH_f, kcal/mol:	4.32
Dipole, Da:	3.73
IP(EA), eV:	-8.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-4-[5-(propanoylamino)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)CCSC1=C(C=CC=N1)C(=O)NCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations