Geometry & MOs

Info

ID:	360609
PubChem CID:	127301254
Reduced:	SN2O3C15H26 (1)
Stoich.:	AB2C3D15E26 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-126.11
Dipole, Da:	2.86
IP(EA), eV:	-9.29(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN(C2CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations