Geometry & MOs

Info

ID:	371823
PubChem CID:	131273595
Reduced:	SO3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	217.01975
ΔH_f, kcal/mol:	-79.38
Dipole, Da:	2.51
IP(EA), eV:	-9.15(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-formyl-5-hydroxy-1-benzothiophen-4-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)OC)SC=C2C=O

DOS

IR

Vibrations