Geometry & MOs

Info

ID:

16887

PubChem CID:

478498

Reduced:

N2S2Cl3O3C29H31 (1)

Stoich.:

A2B2C3D3E29F31 (1)

Weight, g/mol:

624.084168

ΔHf, kcal/mol:

-63.86

Dipole, Da:

9.83

IP(EA), eV:

 -8.14(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-N-[(2R)-2-(3,4-dichlorophenyl)-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C[C@H](CCN1CCC2(CC1)CS(=O)C3=CC=CC=C23)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations