Geometry & MOs

Info

ID:	143942
PubChem CID:	53284696
Reduced:	FOCl2N2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	398.08672
ΔH_f, kcal/mol:	-68.78
Dipole, Da:	3.18
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]butanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations