Geometry & MOs

Info

ID:	373162
PubChem CID:	131310886
Reduced:	OSN4C10H12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	309.90302
ΔH_f, kcal/mol:	17.37
Dipole, Da:	5.08
IP(EA), eV:	-9.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-4-chloro-2-(difluoromethyl)-1-benzothiophene

Drug info:

PubChemData

Smile

C1C(NC(=O)NC1NCC2=CC=CS2)C#N

DOS

IR

Vibrations