Geometry & MOs

Info

ID:

309379

PubChem CID:

126545816

Reduced:

ClSN4O4C19H23 (1)

Stoich.:

ABC4D4E19F23 (1)

Weight, g/mol:

608.325023

ΔHf, kcal/mol:

-108.62

Dipole, Da:

5.32

IP(EA), eV:

 -8.99(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(1S)-6-(hydroxymethyl)-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1S)-6-(hydroxymethyl)-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)N(CC2=NC=C(C=C2)C(=O)OC)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations