Geometry & MOs

Info

ID:	43025
PubChem CID:	10317831
Reduced:	ClS2O3N5C12H22 (1)
Stoich.:	AB2C3D5E12F22 (1)
Weight, g/mol:	383.9006
ΔH_f, kcal/mol:	-113.02
Dipole, Da:	7.05
IP(EA), eV:	-9.11(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methyl-1-phenyl-1-benzothiophen-1-ium;bromide

Drug info:

PubChemData

Smile

C1CC(CCC1N(CC(=O)N2CSCC2C#N)N)S(=O)(=O)N.Cl

DOS

IR

Vibrations