Geometry & MOs

Info

ID:

180291

PubChem CID:

76609041

Reduced:

SO5N7C43H49 (1)

Stoich.:

AB5C7D43E49 (1)

Weight, g/mol:

485.267842

ΔHf, kcal/mol:

-106.87

Dipole, Da:

5.81

IP(EA), eV:

 -8.49(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[[8-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3,4-dihydro-1H-azecin-2-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N)NC(=O)C(C)NCC(CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)C(=O)NC(C)C4=CN=CC=C4)N(CC5=CC=CC=C5)S(=O)(=O)C

DOS

IR

Vibrations