Geometry & MOs

Info

ID:	341707
PubChem CID:	127264400
Reduced:	NSO2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	245.89056
ΔH_f, kcal/mol:	10.19
Dipole, Da:	7.91
IP(EA), eV:	-9.58(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-chloro-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=NS2(=O)=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations