Geometry & MOs

Info

ID:	368747
PubChem CID:	127329998
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-113.48
Dipole, Da:	5.26
IP(EA), eV:	-8.63(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylcyclohexyl)-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NC(=O)N2CCC(=O)NCC2

DOS

IR

Vibrations