Geometry & MOs

Info

ID:	56574
PubChem CID:	17436385
Reduced:	O3N4H22C25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	350.083747
ΔH_f, kcal/mol:	33.02
Dipole, Da:	3.07
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)N(C/C=C/C3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

DOS

IR

Vibrations