Geometry & MOs

Info

ID:	344805
PubChem CID:	127268443
Reduced:	SN3O4C17H31 (1)
Stoich.:	AB3C4D17E31 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-189.35
Dipole, Da:	5.74
IP(EA), eV:	-9.02(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[4-(cyclohexylmethylsulfonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)N2CCN(CC2)C(=O)CN3CCOCC3

DOS

IR

Vibrations