Geometry & MOs

Info

ID:

311708

PubChem CID:

126596900

Reduced:

BrClFN3O4H28C31 (1)

Stoich.:

ABCD3E4F28G31 (1)

Weight, g/mol:

545.182982

ΔHf, kcal/mol:

-158.4

Dipole, Da:

7.85

IP(EA), eV:

 -8.83(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10R,14S)-14-[4-(6-chloropyridin-2-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]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=CC=CC(=C2)C3=C(C=C(C=C3)NC(=O)O)NC1=O)N4CCC(=CC4=O)C5=C(C=CC(=C5F)Cl)Br

DOS

IR

Vibrations