Geometry & MOs

Info

ID:

312632

PubChem CID:

126607004

Reduced:

ClF2O2N5H30C34 (1)

Stoich.:

AB2C2D5E30F34 (1)

Weight, g/mol:

574.22593

ΔHf, kcal/mol:

-72.03

Dipole, Da:

3.01

IP(EA), eV:

 -8.53(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10R,14S)-14-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]-5-chlorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-4-fluoro-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one

Drug info:

PubChemData

Smile

CC1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC4=CN=CC=C4)NC1=O)N5CCC(=CC5=O)C6=C(C=CC(=C6F)Cl)F

DOS

IR

Vibrations