Geometry & MOs

Info

ID:

219207

PubChem CID:

85091589

Reduced:

SN5O8C40H45 (1)

Stoich.:

AB5C8D40E45 (1)

Weight, g/mol:

756.341067

ΔHf, kcal/mol:

-244.01

Dipole, Da:

8.96

IP(EA), eV:

 -9.53(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[5-hydroxy-6-[1-hydroxy-5-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(hydroxymethyl)-8-methoxynaphthalen-2-yl]-2-(hydroxymethyl)-4-methoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NN(CC4=CC=CC=C4)S(=O)(=O)N5CCCC5C(=O)O

DOS

IR

Vibrations