Geometry & MOs

Info

ID:	200310
PubChem CID:	79376431
Reduced:	SN3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	65.21
Dipole, Da:	5.29
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NCCC2CC2

DOS

IR

Vibrations