Geometry & MOs

Info

ID:	68336
PubChem CID:	46508217
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	281.153955
ΔH_f, kcal/mol:	-100.98
Dipole, Da:	5.92
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=CC3=C(C=C2)C=C(C=C3)OC

DOS

IR

Vibrations