Geometry & MOs

Info

ID:

59578

PubChem CID:

24875331

Reduced:

ClSN6O7C36H45 (1)

Stoich.:

ABC6D7E36F45 (1)

Weight, g/mol:

1106.49143

ΔHf, kcal/mol:

-233.54

Dipole, Da:

4.95

IP(EA), eV:

 -9.5(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(3-phenoxypropyl)azanium;N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-(2-naphthalen-1-ylethoxy)propanamide;bromide

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@H](CCC1=CC=CC=C1)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCC3=CC=NC=C3)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations