Geometry & MOs

Info

ID:

191513

PubChem CID:

78155265

Reduced:

ClFN2O4C34H40 (1)

Stoich.:

ABC2D4E34F40 (1)

Weight, g/mol:

522.19215

ΔHf, kcal/mol:

-204.78

Dipole, Da:

3.96

IP(EA), eV:

 -8.84(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)-2-methyl-6-phenylmethoxycarbonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C2CCCOC2=C(C=C1C3=C4CN(CC(C4=NC(=C3C(C(=O)O)OC(C)(C)C)C)(C)C)CC5=CC(=CC=C5)Cl)F

DOS

IR

Vibrations