Geometry & MOs

Info

ID:

425343

PubChem CID:

135125992

Reduced:

N2O4C27H28 (1)

Stoich.:

A2B4C27D28 (1)

Weight, g/mol:

676.174546

ΔHf, kcal/mol:

-125.12

Dipole, Da:

3.68

IP(EA), eV:

 -8.74(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[5-[5-[2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=CC=C2)C3=CC4=C(C=C3)OC5(CC4)CCN(CC5)C(=O)COC(=O)C

DOS

IR

Vibrations