Geometry & MOs

Info

ID:

425192

PubChem CID:

135125485

Reduced:

N3O3C23H23 (1)

Stoich.:

A3B3C23D23 (1)

Weight, g/mol:

430.107517

ΔHf, kcal/mol:

-74.4

Dipole, Da:

2.82

IP(EA), eV:

 -9.01(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(4aS,5S,7aS)-2-amino-5-(fluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC=CC2=C1C=CC(=C2)C3=CC4=C(C=C3)OC5(CCN(CC5)C(=O)N)OC4

DOS

IR

Vibrations