Geometry & MOs

Info

ID:

109491

PubChem CID:

50286421

Reduced:

FN6O6C43H53 (1)

Stoich.:

AB6C6D43E53 (1)

Weight, g/mol:

742.385412

ΔHf, kcal/mol:

-269.32

Dipole, Da:

12.66

IP(EA), eV:

 -8.55(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)OC)C)F

DOS

IR

Vibrations