Geometry & MOs

Info

ID:	158668
PubChem CID:	56464552
Reduced:	NS2O6C18H21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	401.05377
ΔH_f, kcal/mol:	-202.11
Dipole, Da:	7.83
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-ethylsulfonylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC=CC=C1SCC2=C(C=CO2)C(=O)OC

DOS

IR

Vibrations