Geometry & MOs

Info

ID:	171402
PubChem CID:	75372508
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	358.109962
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	1.37
IP(EA), eV:	-8.67(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)OCC(=O)NCCC2=CN3CCCCC3=N2

DOS

IR

Vibrations