Geometry & MOs

Info

ID:	374406
PubChem CID:	131328570
Reduced:	BrSO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	247.012556
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	1.84
IP(EA), eV:	-9.61(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-formyl-3-methylsulfanyl-1-benzothiophen-2-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C=C(S2)C(=O)O)Br)C=O

DOS

IR

Vibrations