Geometry & MOs

Info

ID:

425138

PubChem CID:

135125291

Reduced:

O2N3C25H27 (1)

Stoich.:

A2B3C25D27 (1)

Weight, g/mol:

437.127501

ΔHf, kcal/mol:

-37.6

Dipole, Da:

5.2

IP(EA), eV:

 -8.69(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCNC(=O)N1CCC2(CC1)CC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)C

DOS

IR

Vibrations