Geometry & MOs

Info

ID:	374240
PubChem CID:	131325734
Reduced:	BrClSN4H8C9 (1)
Stoich.:	ABCD4E8F9 (1)
Weight, g/mol:	316.91798
ΔH_f, kcal/mol:	72.32
Dipole, Da:	3.78
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(bromomethyl)-2-methylsulfanyl-4-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CSC2=NNC(=N2)N)Br

DOS

IR

Vibrations