Geometry & MOs

Info

ID:

109412

PubChem CID:

50283352

Reduced:

FN6O6C43H47 (1)

Stoich.:

AB6C6D43E47 (1)

Weight, g/mol:

766.304574

ΔHf, kcal/mol:

-230.41

Dipole, Da:

4.46

IP(EA), eV:

 -8.18(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]-4-methylphenyl]-1-[1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6=CC=CC=C6OC)C)F

DOS

IR

Vibrations