Geometry & MOs

Info

ID:	300050
PubChem CID:	118050990
Reduced:	ClSN2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	446.034805
ΔH_f, kcal/mol:	32.31
Dipole, Da:	6.09
IP(EA), eV:	-8.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorobutylsulfinylmethylsulfanyl)-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=NC3=C2C=CS3)Cl

DOS

IR

Vibrations