Geometry & MOs

Info

ID:

312022

PubChem CID:

126601938

Reduced:

ClFNO4C27H29 (1)

Stoich.:

ABCD4E27F29 (1)

Weight, g/mol:

764.18778

ΔHf, kcal/mol:

-192.04

Dipole, Da:

5.32

IP(EA), eV:

 -8.89(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-[2-[(2-chloro-6-methylphenyl)methyl]-1-iodo-3,4-dihydro-1H-isoquinolin-6-yl]-4-(3,4-dihydro-2H-chromen-6-yl)-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)Cl)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F

DOS

IR

Vibrations