Geometry & MOs

Info

ID:	39497
PubChem CID:	8141009
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	334.088434
ΔH_f, kcal/mol:	-214.01
Dipole, Da:	8.31
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CCCC3)N

DOS

IR

Vibrations