Geometry & MOs

Info

ID:

218730

PubChem CID:

85089880

Reduced:

N3O7H23C27 (1)

Stoich.:

A3B7C23D27 (1)

Weight, g/mol:

501.076338

ΔHf, kcal/mol:

-209.87

Dipole, Da:

4.84

IP(EA), eV:

 -8.6(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(cyclopropylmethyl)-7-oxo-4a-sulfooxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CN1C(=O)C2=C3C(=C4C5=CC=CC=C5N(C4=C2C1=O)C6C(C(C(C(O6)CO)O)O)O)C7=CC=CC=C7N3

DOS

IR

Vibrations