Geometry & MOs

Info

ID:

425276

PubChem CID:

135125764

Reduced:

O2N4H28C29 (1)

Stoich.:

A2B4C28D29 (1)

Weight, g/mol:

512.050844

ΔHf, kcal/mol:

-11.33

Dipole, Da:

0.33

IP(EA), eV:

 -8.35(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[5-[(Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC(=CC=C3)NC(=O)C)NC4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations