Geometry & MOs

Info

ID:	12455
PubChem CID:	138077
Reduced:	SH2N2C4 (1)
Stoich.:	AB2C2D4 (1)
Weight, g/mol:	109.993869
ΔH_f, kcal/mol:	77.07
Dipole, Da:	2.86
IP(EA), eV:	-9.92(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=NS1)C#N

DOS

IR

Vibrations