Geometry & MOs

Info

ID:

311710

PubChem CID:

126596902

Reduced:

SN3H29C42 (1)

Stoich.:

AB3C29D42 (1)

Weight, g/mol:

558.227848

ΔHf, kcal/mol:

199.88

Dipole, Da:

5.51

IP(EA), eV:

 -8.39(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10R,14S)-14-[4-(2-fluoro-3-methoxyphenyl)-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

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(S4)C=CC(=C5)C6=CC(CC=C6N7C8=C(C=C(C=C8)C#N)C9=CC=CC=C97)(C)C#N)C

DOS

IR

Vibrations