Geometry & MOs

Info

ID:

428594

PubChem CID:

135167723

Reduced:

O4N5C36H49 (1)

Stoich.:

A4B5C36D49 (1)

Weight, g/mol:

792.409815

ΔHf, kcal/mol:

-144.36

Dipole, Da:

7.97

IP(EA), eV:

 -8.52(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 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-methylbutanoate

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)OCCCN5CCNCC5

DOS

IR

Vibrations