Geometry & MOs

Info

ID:	132001
PubChem CID:	51289445
Reduced:	OS2N5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	379.102434
ΔH_f, kcal/mol:	114.28
Dipole, Da:	3.03
IP(EA), eV:	-9.09(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations