Geometry & MOs

Info

ID:	16885
PubChem CID:	478469
Reduced:	ClSO2N3C27H32 (1)
Stoich.:	ABC2D3E27F32 (1)
Weight, g/mol:	497.190376
ΔH_f, kcal/mol:	-13.31
Dipole, Da:	9.04
IP(EA), eV:	-7.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(3-chlorophenyl)-4-(4-phenylpiperazin-1-yl)butyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C[C@H](CCN1CCN(CC1)C2=CC=CC=C2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations