Geometry & MOs

Info

ID:	194558
PubChem CID:	78555870
Reduced:	NSO4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	350.126657
ΔH_f, kcal/mol:	-102.23
Dipole, Da:	4.45
IP(EA), eV:	-8.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations