Geometry & MOs

Info

ID:

311690

PubChem CID:

126596876

Reduced:

SN2H20C30 (1)

Stoich.:

AB2C20D30 (1)

Weight, g/mol:

563.17356

ΔHf, kcal/mol:

130.73

Dipole, Da:

1.39

IP(EA), eV:

 -8.04(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10R,14S)-14-[4-(4-chloro-3-fluoropyridin-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

C1=CC=C(C(=C1)C2=CC3=C(C=C2)SC4=CC=CC=C43)N5C6=CC=CC=C6C7=C5C=C(C=C7)N

DOS

IR

Vibrations