Geometry & MOs

Info

ID:	240833
PubChem CID:	93617738
Reduced:	ClNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	212.098334
ΔH_f, kcal/mol:	-166.06
Dipole, Da:	5.43
IP(EA), eV:	-8.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)CCOC[C@H]2CCCO2

DOS

IR

Vibrations