Geometry & MOs

Info

ID:

132862

PubChem CID:

51433658

Reduced:

ClSO5N6H16C22 (1)

Stoich.:

ABC5D6E16F22 (1)

Weight, g/mol:

389.142066

ΔHf, kcal/mol:

0.65

Dipole, Da:

5.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.904727

Charge, e:

 1

Chem-info

IUPAC name:

[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N/C=C(\C#N)/C3=NC4=C(O3)C=CC(=C4)Cl)OC

DOS

IR

Vibrations