Geometry & MOs

Info

ID:	348999
PubChem CID:	127274725
Reduced:	SO3N4C19H32 (1)
Stoich.:	AB3C4D19E32 (1)
Weight, g/mol:	383.224263
ΔH_f, kcal/mol:	-158.05
Dipole, Da:	3.36
IP(EA), eV:	-9.37(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)C(=O)NC3CCCCC3

DOS

IR

Vibrations