Geometry & MOs

Info

ID:	269484
PubChem CID:	103617683
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	348.89975
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	4.96
IP(EA), eV:	-8.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)N2CCCSCC2

DOS

IR

Vibrations