Geometry & MOs

Info

ID:	60993
PubChem CID:	26703959
Reduced:	SN2O6C24H24 (1)
Stoich.:	AB2C6D24E24 (1)
Weight, g/mol:	449.104542
ΔH_f, kcal/mol:	-179.76
Dipole, Da:	3.2
IP(EA), eV:	-8.51(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methoxybenzoyl)amino]phenyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)[C@@H]3CC4=CC=CC=C4O3)OC

DOS

IR

Vibrations