Geometry & MOs

Info

ID:	24970
PubChem CID:	615499
Reduced:	N2S3C8H10 (1)
Stoich.:	A2B3C8D10 (1)
Weight, g/mol:	230.000612
ΔH_f, kcal/mol:	61.66
Dipole, Da:	1.94
IP(EA), eV:	-8.8(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCSC1=C(C(=NS1)SCC)C#N

DOS

IR

Vibrations