Geometry & MOs

Info

ID:	250532
PubChem CID:	103097332
Reduced:	SN2O2C9H10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-43.02
Dipole, Da:	4.51
IP(EA), eV:	-10.36(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-cyanopropan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C(C)(C)C#N)C(=O)O

DOS

IR

Vibrations