Geometry & MOs

Info

ID:	372819
PubChem CID:	131305380
Reduced:	FO2S2H7C10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	401.83864
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	3.93
IP(EA), eV:	-9.15(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-7-(difluoromethyl)-5-iodo-1-benzothiophene

Drug info:

PubChemData

Smile

CSC1=C(C=C2C=CSC2=C1F)C(=O)O

DOS

IR

Vibrations