Geometry & MOs

Info

ID:	38804
PubChem CID:	8137950
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	2.92
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-butoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)C3=CC=C(C=C3)SC

DOS

IR

Vibrations