Geometry & MOs

Info

ID:	373882
PubChem CID:	131320989
Reduced:	ClNSO3C7H10 (1)
Stoich.:	ABCD3E7F10 (1)
Weight, g/mol:	222.985863
ΔH_f, kcal/mol:	-114.4
Dipole, Da:	8.62
IP(EA), eV:	-9.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-chloro-1-benzothiophen-2-yl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

COCCC1=CC=C(N1)S(=O)(=O)Cl

DOS

IR

Vibrations