Geometry & MOs

Info

ID:	47951
PubChem CID:	10536031
Reduced:	SN2O2C8H12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	200.040819
ΔH_f, kcal/mol:	-78.76
Dipole, Da:	2.1
IP(EA), eV:	-9.13(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-1,3-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN1C(=O)C2C[C@H](CN2C1=S)O

DOS

IR

Vibrations