Geometry & MOs

Info

ID:	55840
PubChem CID:	17396644
Reduced:	NSO5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-157.07
Dipole, Da:	5.19
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations