Geometry & MOs

Info

ID:	296081
PubChem CID:	117555351
Reduced:	SN3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	229.067369
ΔH_f, kcal/mol:	87.9
Dipole, Da:	6.61
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylanilino)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C3=NC=C(S3)C#N

DOS

IR

Vibrations