Geometry & MOs

Info

ID:	349727
PubChem CID:	127275879
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-30.51
Dipole, Da:	5.95
IP(EA), eV:	-8.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)CSC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations