Geometry & MOs

Info

ID:	153339
PubChem CID:	56312522
Reduced:	ISN2O3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	321.095413
ΔH_f, kcal/mol:	-67.83
Dipole, Da:	2.01
IP(EA), eV:	-9.45(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chlorothiophen-2-yl)-N-(3-phenylbutyl)propanamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)I)C2=CC=CC=C2

DOS

IR

Vibrations