Geometry & MOs

Info

ID:	373923
PubChem CID:	131321329
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	303.93243
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	4.15
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NO1)C2=CSC(=C2C(=O)OC)N

DOS

IR

Vibrations