Geometry & MOs

Info

ID:

436649

PubChem CID:

135206581

Reduced:

FN3O4C33H42 (1)

Stoich.:

AB3C4D33E42 (1)

Weight, g/mol:

764.44322

ΔHf, kcal/mol:

-191.49

Dipole, Da:

5.02

IP(EA), eV:

 -8.83(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CN=C(C(=C2N3CCC(CC3)(C)C)C(C(=O)O)OC(C)(C)C)C)OCCC4=CC=C(C=C4)F

DOS

IR

Vibrations