Geometry & MOs

Info

ID:

310559

PubChem CID:

126582123

Reduced:

ClO2N4C38H49 (1)

Stoich.:

AB2C4D38E49 (1)

Weight, g/mol:

629.399271

ΔHf, kcal/mol:

-77.72

Dipole, Da:

7.5

IP(EA), eV:

 -8.69(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-methyl-6-propan-2-ylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4CN5CCCCC5)C)CC(=O)O)N6CCC(CC6)(C)C

DOS

IR

Vibrations