Geometry & MOs

Info

ID:	374395
PubChem CID:	131328253
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	325.89793
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	2.54
IP(EA), eV:	-9.2(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(bromomethyl)-4-chloro-6-(difluoromethoxy)-1-benzothiophene

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(S1)C2=CC=NC=C2)O

DOS

IR

Vibrations