Geometry & MOs

Info

ID:	36894
PubChem CID:	8014372
Reduced:	N2S2O5C17H18 (1)
Stoich.:	A2B2C5D17E18 (1)
Weight, g/mol:	378.107185
ΔH_f, kcal/mol:	-164.3
Dipole, Da:	4.09
IP(EA), eV:	-8.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations