Geometry & MOs

Info

ID:

425200

PubChem CID:

135125507

Reduced:

N3O4H27C28 (1)

Stoich.:

A3B4C27D28 (1)

Weight, g/mol:

491.09023

ΔHf, kcal/mol:

-115.68

Dipole, Da:

5.59

IP(EA), eV:

 -8.77(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,5S,7aS)-5-(difluoromethyl)-7a-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(trifluoromethyl)pyridin-2-yl]ethenyl]phenyl]-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-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)C(=O)OC5

DOS

IR

Vibrations