Geometry & MOs

Info

ID:

188983

PubChem CID:

77796785

Reduced:

SN2O5C27H32 (1)

Stoich.:

AB2C5D27E32 (1)

Weight, g/mol:

498.251858

ΔHf, kcal/mol:

-155.27

Dipole, Da:

3.87

IP(EA), eV:

 -8.66(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[methyl(3-phenylprop-2-enoyl)amino]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C2CC3C4CCC(C5C4(C2=C(O5)C=C1)CCN3C)N(C)S(=O)(=O)CC6=CC=CC=C6

DOS

IR

Vibrations