Geometry & MOs

Info

ID:	373275
PubChem CID:	131312495
Reduced:	ClNF2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	351.88218
ΔH_f, kcal/mol:	-106.48
Dipole, Da:	2.51
IP(EA), eV:	-9.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-4-iodo-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=C(C=CC=C1Cl)C(F)F)N

DOS

IR

Vibrations