Geometry & MOs

Info

ID:	121075
PubChem CID:	50755076
Reduced:	SO2N6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	341.093104
ΔH_f, kcal/mol:	-10.31
Dipole, Da:	1.66
IP(EA), eV:	-8.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=C(N=C(S3)NCC)C(=O)N

DOS

IR

Vibrations