Geometry & MOs

Info

ID:	371824
PubChem CID:	131273739
Reduced:	NSO2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	217.01975
ΔH_f, kcal/mol:	3.38
Dipole, Da:	6.29
IP(EA), eV:	-9.0(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-formyl-5-hydroxy-1-benzothiophen-6-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)C=O)C(=C1O)CC#N

DOS

IR

Vibrations