Geometry & MOs

Info

ID:

428595

PubChem CID:

135167724

Reduced:

N2O4C23H28 (2)

Stoich.:

A2B4C23D28 (2)

Weight, g/mol:

778.394165

ΔHf, kcal/mol:

-297.6

Dipole, Da:

3.85

IP(EA), eV:

 -8.65(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[3-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylphenyl]phenoxy]propoxy]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)OCCCOC5=CC6=C(CN(C6=O)C(C(C)C)C(=O)OC)C=C5

DOS

IR

Vibrations