Geometry & MOs

Info

ID:	139395
PubChem CID:	52521959
Reduced:	ClOSN3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	404.156992
ΔH_f, kcal/mol:	1.24
Dipole, Da:	5.92
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC(=O)NC3=CC=CC=C32)C

DOS

IR

Vibrations