Geometry & MOs

Info

ID:	377866
PubChem CID:	134223931
Reduced:	NBr2O2H7C13 (1)
Stoich.:	AB2C2D7E13 (1)
Weight, g/mol:	195.017642
ΔH_f, kcal/mol:	11.21
Dipole, Da:	8.43
IP(EA), eV:	-8.67(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-1-benzothiophene-3-thiol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N/C(=C/3\C=C(C=C(C3=O)Br)Br)/O2

DOS

IR

Vibrations