Geometry & MOs

Info

ID:

99719

PubChem CID:

50054686

Reduced:

ClFO5N6C41H42 (1)

Stoich.:

ABC5D6E41F42 (1)

Weight, g/mol:

752.288924

ΔHf, kcal/mol:

-193.24

Dipole, Da:

5.42

IP(EA), eV:

 -8.53(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-chlorobenzoyl)amino]-4-methylphenyl]-1-[1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6=CC=CC=C6Cl

DOS

IR

Vibrations