Geometry & MOs

Info

ID:	175228
PubChem CID:	75871057
Reduced:	ClN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	5.67
IP(EA), eV:	-8.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-hydroxy-3-[(4-methylphenyl)-phenylmethoxy]propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)N2C(=O)CC(C2=O)NC3=CC(=CC=C3)N4CCCC4=O

DOS

IR

Vibrations