Geometry & MOs

Info

ID:	60613
PubChem CID:	26697280
Reduced:	BrSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	321.059028
ΔH_f, kcal/mol:	-116.77
Dipole, Da:	4.23
IP(EA), eV:	-8.82(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chlorothiophen-2-yl)-N-(4-ethylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations