Geometry & MOs

Info

ID:	131201
PubChem CID:	51173882
Reduced:	OSN4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	393.125946
ΔH_f, kcal/mol:	50.91
Dipole, Da:	4.69
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-5-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CSC3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations