Geometry & MOs

Info

ID:

168706

PubChem CID:

75005941

Reduced:

SN2O4C15H16 (1)

Stoich.:

AB2C4D15E16 (1)

Weight, g/mol:

825.410149

ΔHf, kcal/mol:

-74.18

Dipole, Da:

6.46

IP(EA), eV:

 -8.49(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 7-[[3-(4a-ethyl-1-hydroxy-6-methoxycarbonyl-2,3,4,12a-tetrahydroindolo[1,2-a][1,8]naphthyridin-7-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-4a-ethyl-1-hydroxy-2,3,4,12a-tetrahydroindolo[1,2-a][1,8]naphthyridine-6-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CNNS(=O)(=O)CC2=CC=CC=C2)C(=O)C=C1

DOS

IR

Vibrations