Geometry & MOs

Info

ID:	142952
PubChem CID:	53121268
Reduced:	SN3O5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	424.222289
ΔH_f, kcal/mol:	-115.75
Dipole, Da:	4.92
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)OC1=O

DOS

IR

Vibrations