Geometry & MOs

Info

ID:	184296
PubChem CID:	77141955
Reduced:	ISO2N3C26H30 (1)
Stoich.:	ABC2D3E26F30 (1)
Weight, g/mol:	517.201083
ΔH_f, kcal/mol:	12.76
Dipole, Da:	5.41
IP(EA), eV:	-8.83(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]-4-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(C(CN1)CC2=CC=CC=C2)CC(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)I

DOS

IR

Vibrations