Geometry & MOs

Info

ID:	373471
PubChem CID:	131315765
Reduced:	IN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	261.966685
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	2.57
IP(EA), eV:	-9.21(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(difluoromethyl)-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1I)[C@](C(=O)N2)(CCO)N

DOS

IR

Vibrations