Geometry & MOs

Info

ID:

114293

PubChem CID:

50477766

Reduced:

ClFO5N6C42H44 (1)

Stoich.:

ABC5D6E42F44 (1)

Weight, g/mol:

766.304574

ΔHf, kcal/mol:

-194.66

Dipole, Da:

8.74

IP(EA), eV:

 -8.67(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-[3-[(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=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=CC=C6C)Cl)C)F

DOS

IR

Vibrations