Geometry & MOs

Info

ID:

375577

PubChem CID:

134214008

Reduced:

ClF3N3O3C21H21 (1)

Stoich.:

AB3C3D3E21F21 (1)

Weight, g/mol:

466.063317

ΔHf, kcal/mol:

-246.97

Dipole, Da:

7.14

IP(EA), eV:

 -9.3(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-1-[5-chloro-6-[1-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-hydroxymethyl]-3,6-dihydro-2H-pyridin-4-yl]pyridin-3-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C[C@@](CO)(C1=CC(=C(N=C1)C2=CCN(CC2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)Cl)O

DOS

IR

Vibrations