Geometry & MOs

Info

ID:

311705

PubChem CID:

126596897

Reduced:

N2O2H22C37 (1)

Stoich.:

A2B2C22D37 (1)

Weight, g/mol:

605.204111

ΔHf, kcal/mol:

131.17

Dipole, Da:

2.43

IP(EA), eV:

 -8.16(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10R,14S)-14-[4-(4-chloro-3-methoxypyridin-2-yl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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

C1CC=C(C(=C1)C2=CC3=C(C=C2)OC4=C3C5=C(C=C4)OC6=C5C=C(C=C6)C#N)N7C8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations