Geometry & MOs

Info

ID:

187951

PubChem CID:

77647193

Reduced:

F3N3O4C34H38 (1)

Stoich.:

A3B3C4D34E38 (1)

Weight, g/mol:

568.285005

ΔHf, kcal/mol:

-296.4

Dipole, Da:

10.38

IP(EA), eV:

 -8.9(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,1-dihydroxythiazinan-2-yl)-5-(ethylamino)-N-[3-hydroxy-4-(pentylamino)-1-phenylbutan-2-yl]benzamide;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC(=CC(=C2)N3CCCC3=O)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC=C5)OC(F)(F)F)O

DOS

IR

Vibrations