Geometry & MOs

Info

ID:

312628

PubChem CID:

126606927

Reduced:

ClF2N4O4C32H33 (1)

Stoich.:

AB2C4D4E32F33 (1)

Weight, g/mol:

614.200858

ΔHf, kcal/mol:

-213.37

Dipole, Da:

3.86

IP(EA), eV:

 -9.11(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14S)-14-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-5-(pyridazin-3-ylamino)-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one

Drug info:

PubChemData

Smile

CCCCCCC(C1=NC=CC(=C1)C2=C(C=C(C=C2)NC(=O)OC)NC=O)N3CCC(=CC3=O)C4=C(C=CC(=C4F)Cl)F

DOS

IR

Vibrations