Geometry & MOs

Info

ID:	273373
PubChem CID:	103770985
Reduced:	NOSC7H9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	345.035705
ΔH_f, kcal/mol:	-46.18
Dipole, Da:	3.96
IP(EA), eV:	-9.26(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CSC(=N1)C2=CSC=C2)O

DOS

IR

Vibrations