Geometry & MOs

Info

ID:

310563

PubChem CID:

126582207

Reduced:

SF2O2N4H20C21 (1)

Stoich.:

AB2C2D4E20F21 (1)

Weight, g/mol:

602.36322

ΔHf, kcal/mol:

-95.01

Dipole, Da:

3.05

IP(EA), eV:

 -8.88(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-6-[(2-methoxyethylamino)methyl]-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N(C(=N2)NC(=O)C3=CC=C(S3)C(F)F)[C@H]4CCCN4C(=O)C=C

DOS

IR

Vibrations