Geometry & MOs

Info

ID:	373430
PubChem CID:	131315117
Reduced:	FO2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	375.87973
ΔH_f, kcal/mol:	-97.85
Dipole, Da:	4.51
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-5-iodo-2-(trifluoromethyl)-1-benzothiophene

Drug info:

PubChemData

Smile

CSC1=C(C=CC2=C1C=C(S2)F)CC(=O)O

DOS

IR

Vibrations