Geometry & MOs

Info

ID:

447793

PubChem CID:

135285819

Reduced:

OPC40H53 (1)

Stoich.:

ABC40D53 (1)

Weight, g/mol:

624.275485

ΔHf, kcal/mol:

-12.72

Dipole, Da:

1.98

IP(EA), eV:

 -8.54(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[(2-chlorophenyl)methyl]-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

CC(C)(C)C1=CC(=C(C=C1)C2C(=CC=CC2(C3=CC=CC=C3)C4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)OP)C(C)(C)C

DOS

IR

Vibrations