Geometry & MOs

Info

ID:	129361
PubChem CID:	51072380
Reduced:	OS3N4H8C13 (1)
Stoich.:	AB3C4D8E13 (1)
Weight, g/mol:	328.091535
ΔH_f, kcal/mol:	90.76
Dipole, Da:	5.23
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N/C(=C(\C#N)/C(=O)CSC3=NN=CS3)/S2

DOS

IR

Vibrations