Geometry & MOs

Info

ID:	350309
PubChem CID:	127277387
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	357.208613
ΔH_f, kcal/mol:	-96.32
Dipole, Da:	2.37
IP(EA), eV:	-8.56(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)CNC(=O)C3=CC4=C(S3)CCCC4

DOS

IR

Vibrations