Geometry & MOs

Info

ID:	131459
PubChem CID:	51209366
Reduced:	OS2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	367.110296
ΔH_f, kcal/mol:	108.57
Dipole, Da:	4.12
IP(EA), eV:	-8.57(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)SC3=NN=C(S3)NC4=CC=CC=C4

DOS

IR

Vibrations