Geometry & MOs

Info

ID:	56178
PubChem CID:	17422354
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	392.14193
ΔH_f, kcal/mol:	-122.64
Dipole, Da:	5.61
IP(EA), eV:	-8.43(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC1=C(C=C(C=C1)/C=C\2/C(=O)N3CCCCCC3=N2)OC

DOS

IR

Vibrations