Geometry & MOs

Info

ID:	350304
PubChem CID:	127277382
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	10.04
Dipole, Da:	5.4
IP(EA), eV:	-8.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)CN(C)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations