Geometry & MOs

Info

ID:	371801
PubChem CID:	131271703
Reduced:	ClO2N3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	345.91606
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	8.78
IP(EA), eV:	-9.28(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-hydroxy-4-iodo-1-benzothiophen-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CC1O)C2=CN=NC(=O)C2Cl

DOS

IR

Vibrations