Geometry & MOs

Info

ID:

215325

PubChem CID:

85084548

Reduced:

N3O9C47H61 (1)

Stoich.:

A3B9C47D61 (1)

Weight, g/mol:

811.430885

ΔHf, kcal/mol:

-327.99

Dipole, Da:

4.75

IP(EA), eV:

 -9.5(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 7-[[3-(4a-ethyl-1-hydroxy-6-methoxycarbonyl-2,3,4,5,6,12a-hexahydroindolo[1,2-a][1,8]naphthyridin-7-yl)-1-methyl-3,4-dihydro-2H-quinolin-2-yl]methyl]-4a-ethyl-1-hydroxy-2,3,4,12a-tetrahydroindolo[1,2-a][1,8]naphthyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)CC)CC4=CC=CC=C4)C

DOS

IR

Vibrations