Geometry & MOs

Info

ID:	204105
PubChem CID:	79913132
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	383.96018
ΔH_f, kcal/mol:	-147.12
Dipole, Da:	2.86
IP(EA), eV:	-9.51(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-cyanoethyl)-4-methyl-N-phenylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

COCC(=O)C1CCOC2(C1)CCCC2

DOS

IR

Vibrations