Geometry & MOs

Info

ID:	39027
PubChem CID:	8138385
Reduced:	SO3N5H13C15 (1)
Stoich.:	AB3C5D13E15 (1)
Weight, g/mol:	348.104482
ΔH_f, kcal/mol:	-60.51
Dipole, Da:	7.55
IP(EA), eV:	-8.83(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-5-[(1S)-1-quinazolin-4-ylsulfanylethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC=NC3=CC=CC=C32)N

DOS

IR

Vibrations