Geometry & MOs

Info

ID:

310092

PubChem CID:

126574182

Reduced:

FN2O5C35H43 (1)

Stoich.:

AB2C5D35E43 (1)

Weight, g/mol:

583.341007

ΔHf, kcal/mol:

-235.08

Dipole, Da:

5.93

IP(EA), eV:

 -8.5(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-5-[4-(benzylcarbamoyl)phenyl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C(C(=O)O)OC(C)(C)C)N2CCC3(CCCO3)CC2)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F

DOS

IR

Vibrations