Geometry & MOs

Info

ID:	77644
PubChem CID:	49658565
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	368.06532
ΔH_f, kcal/mol:	-49.23
Dipole, Da:	1.55
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCC2=CC=C(O2)C3=NC(=NO3)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations