Geometry & MOs

Info

ID:

159615

PubChem CID:

57288538

Reduced:

NPO4C23H26 (1)

Stoich.:

ABC4D23E26 (1)

Weight, g/mol:

542.278072

ΔHf, kcal/mol:

-175.65

Dipole, Da:

4.86

IP(EA), eV:

 -8.84(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4R,4aR,7R,7aR,12bS)-9-methoxy-7-[methyl-[3-(3-methylphenyl)prop-2-enoyl]amino]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-yl]prop-1-en-2-yl acetate

Drug info:

PubChemData

Smile

CCC(CCC(=O)O)(C1=CC=CC2=CC=CC=C21)NP(=O)(CC3=CC=CC=C3)O

DOS

IR

Vibrations