Geometry & MOs

Info

ID:

312633

PubChem CID:

126607007

Reduced:

ClFO2N6C31H32 (1)

Stoich.:

ABC2D6E31F32 (1)

Weight, g/mol:

620.256562

ΔHf, kcal/mol:

-29.95

Dipole, Da:

6.35

IP(EA), eV:

 -8.59(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[14-[4-[(4Z,6Z)-5-chloro-4-fluoro-2-methylocta-2,4,6-trien-3-yl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=CC(=C3)F)NC1=O)N4CCC(=CC4=O)C5=C(C=CC(=C5)Cl)N(/C=C\N)N

DOS

IR

Vibrations