Geometry & MOs

Info

ID:

310043

PubChem CID:

126573117

Reduced:

Cl2N3O3C36H45 (1)

Stoich.:

A2B3C3D36E45 (1)

Weight, g/mol:

653.344041

ΔHf, kcal/mol:

-129.3

Dipole, Da:

7.25

IP(EA), eV:

 -8.55(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-[2-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-(4,4-dimethylpiperidin-1-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@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC4=C(CN(CC4)CC5=CC(=CC(=C5)Cl)Cl)C=C3

DOS

IR

Vibrations