Geometry & MOs

Info

ID:	240874
PubChem CID:	93617919
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-20.41
Dipole, Da:	4.49
IP(EA), eV:	-9.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC[C@H](C2=CC=CO2)N(C)C

DOS

IR

Vibrations