Geometry & MOs

Info

ID:	374407
PubChem CID:	131328593
Reduced:	NOS2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	247.012556
ΔH_f, kcal/mol:	38.9
Dipole, Da:	3.17
IP(EA), eV:	-9.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=C(SC2=C(C=CC=C21)C=O)CC#N

DOS

IR

Vibrations