Geometry & MOs

Info

ID:	276833
PubChem CID:	103825419
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	345.035705
ΔH_f, kcal/mol:	-69.34
Dipole, Da:	1.82
IP(EA), eV:	-9.73(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)CN1C=CC=N1

DOS

IR

Vibrations