Geometry & MOs

Info

ID:

425362

PubChem CID:

135126054

Reduced:

N2O3C29H34 (1)

Stoich.:

A2B3C29D34 (1)

Weight, g/mol:

655.104068

ΔHf, kcal/mol:

-121.5

Dipole, Da:

3.04

IP(EA), eV:

 -8.72(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,6S)-2-amino-4-[2-fluoro-5-[(Z)-2-fluoro-2-(5-prop-2-ynoxypyrazin-2-yl)ethenyl]phenyl]-4,6-bis(methylsulfonyl)-5H-1,3-thiazin-6-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(CCC3(O2)CCN(CC3)C(=O)OC(C)(C)C)C=C1C4=CC5=C(C=C4)C(=NC=C5)C

DOS

IR

Vibrations