Geometry & MOs

Info

ID:	344526
PubChem CID:	127268110
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	18.13
Dipole, Da:	6.02
IP(EA), eV:	-8.69(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-cyclohexylacetyl)piperazin-1-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CC3=CSC(=N3)C4=NC=CC=N4

DOS

IR

Vibrations