Geometry & MOs

Info

ID:	263862
PubChem CID:	103402512
Reduced:	ClNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	280.92768
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	4.16
IP(EA), eV:	-8.33(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-3-chloro-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCCOCCCOC1=C(C(=CC=C1)Cl)C(=S)N

DOS

IR

Vibrations