Geometry & MOs

Info

ID:	372860
PubChem CID:	131306103
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	217.01975
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	5.02
IP(EA), eV:	-9.65(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-formyl-2-hydroxy-1-benzothiophen-4-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2C=O)CO

DOS

IR

Vibrations