Geometry & MOs

Info

ID:

187327

PubChem CID:

77559413

Reduced:

ClS2N3O9C27H34 (1)

Stoich.:

AB2C3D9E27F34 (1)

Weight, g/mol:

503.167261

ΔHf, kcal/mol:

-352.73

Dipole, Da:

4.3

IP(EA), eV:

 -9.42(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;sulfuric acid;pentahydrate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)N(C(=O)C2CS(=O)(=O)CCN2)S(=O)(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations