Geometry & MOs

Info

ID:

187954

PubChem CID:

77647383

Reduced:

F3O3N4C35H39 (1)

Stoich.:

A3B3C4D35E39 (1)

Weight, g/mol:

594.300655

ΔHf, kcal/mol:

-234.4

Dipole, Da:

6.94

IP(EA), eV:

 -8.27(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=CC2=C1C=C(C=C2N3CCCC3=O)C(=O)NC(CC4=CC=CC=C4)C(CNC(C)(C)C5=CC(=CC=C5)C(F)(F)F)O

DOS

IR

Vibrations