Geometry & MOs

Info

ID:

109008

PubChem CID:

50268368

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

740.313389

ΔHf, kcal/mol:

-288.52

Dipole, Da:

4.29

IP(EA), eV:

 -8.68(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(4-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC=C4C(=O)NC5=C(C=CC(=C5)F)F)C)C)F

DOS

IR

Vibrations