Geometry & MOs

Info

ID:

59585

PubChem CID:

24875341

Reduced:

N2S2O12C25H40 (1)

Stoich.:

A2B2C12D25E40 (1)

Weight, g/mol:

726.1273

ΔHf, kcal/mol:

-528.49

Dipole, Da:

3.52

IP(EA), eV:

 -8.57(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-(naphthalen-1-ylmethoxy)propanamide;dihydrobromide

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)N)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N.C1[C@H]([C@@H]([C@H](OC1O)CO)O)O

DOS

IR

Vibrations