Geometry & MOs

Info

ID:	243901
PubChem CID:	99300583
Reduced:	FOSCl2N2H11C17 (1)
Stoich.:	ABCD2E2F11G17 (1)
Weight, g/mol:	351.079284
ΔH_f, kcal/mol:	-28.18
Dipole, Da:	4.52
IP(EA), eV:	-9.04(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenoxy)-N-[2-(4-chlorophenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)NC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations