Geometry & MOs

Info

ID:

108141

PubChem CID:

50231704

Reduced:

F3O5N6C43H45 (1)

Stoich.:

A3B5C6D43E45 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-286.57

Dipole, Da:

9.88

IP(EA), eV:

 -9.03(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=C(C=CC(=C6)F)F)C

DOS

IR

Vibrations