Geometry & MOs

Info

ID:	139304
PubChem CID:	52507220
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	437.091966
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	8.91
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[4-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-1,2,4-oxadiazol-5-olate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCNC1=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations