Geometry & MOs

Info

ID:	56218
PubChem CID:	17422655
Reduced:	FO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	387.088892
ΔH_f, kcal/mol:	-41.14
Dipole, Da:	5.85
IP(EA), eV:	-8.44(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethoxyphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations