Geometry & MOs

Info

ID:

164522

PubChem CID:

74411182

Reduced:

Cl5N16O24C102H129 (1)

Stoich.:

A5B16C24D102E129 (1)

Weight, g/mol:

892.234974

ΔHf, kcal/mol:

-1026.67

Dipole, Da:

13.55

IP(EA), eV:

 -9.37(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;phosphoric acid

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NC(CCNC(=O)OCC1=CC=CC=C1Cl)C(=O)NC(C(C)OCC2=CC=CC=C2)C(=O)NC(CCNC(=O)OCC3=CC=CC=C3Cl)C(=O)NC(CCN)C(=O)NC(CCNC(=O)OCC4=CC=CC=C4Cl)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCNC(=O)OCC5=CC=CC=C5Cl)C(=O)NC(CCNC(=O)OCC6=CC=CC=C6Cl)C(=O)NC(C(C)OCC7=CC=CC=C7)C(=O)O

DOS

IR

Vibrations