Geometry & MOs

Info

ID:	347999
PubChem CID:	127273061
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	357.208613
ΔH_f, kcal/mol:	-156.0
Dipole, Da:	4.5
IP(EA), eV:	-9.0(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)CN2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations