Geometry & MOs

Info

ID:	158603
PubChem CID:	56464294
Reduced:	ClINSO3C11H13 (1)
Stoich.:	ABCDE3F11G13 (1)
Weight, g/mol:	426.99115
ΔH_f, kcal/mol:	-102.68
Dipole, Da:	3.83
IP(EA), eV:	-9.87(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(4-bromophenyl)thiophen-2-yl]-N-(2-ethylsulfonylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=C(C=CC(=C1)Cl)I

DOS

IR

Vibrations