Geometry & MOs

Info

ID:

223851

PubChem CID:

85335658

Reduced:

N3O6C35H43 (1)

Stoich.:

A3B6C35D43 (1)

Weight, g/mol:

602.15366

ΔHf, kcal/mol:

-157.91

Dipole, Da:

1.56

IP(EA), eV:

 -8.3(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-oxo-4-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl] 7-nitro-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CN1CCC23C4C(=CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O)N6CCC(C6)OCCOCCNC(=O)C7=CC=C(C=C7)C=C

DOS

IR

Vibrations