Geometry & MOs

Info

ID:

195589

PubChem CID:

78705081

Reduced:

ClSN2O3C14H20 (1)

Stoich.:

ABC2D3E14F20 (1)

Weight, g/mol:

395.01908

ΔHf, kcal/mol:

-63.58

Dipole, Da:

2.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752655

Charge, e:

 0

Chem-info

IUPAC name:

5-bromo-2-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCNS(=O)(=O)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations