Geometry & MOs

Info

ID:

59583

PubChem CID:

24875336

Reduced:

S2N4O6C25H34 (1)

Stoich.:

A2B4C6D25E34 (1)

Weight, g/mol:

564.277027

ΔHf, kcal/mol:

-243.21

Dipole, Da:

9.06

IP(EA), eV:

 -8.73(-0.7)

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H]2CSSCC/C=C/[C@H](CC(=O)N1)OC(=O)[C@@H](NC(C(NC2=O)CC3=CC=CC=C3)O)C

DOS

IR

Vibrations