Geometry & MOs

Info

ID:

114263

PubChem CID:

50476360

Reduced:

ClFO5N6C39H44 (1)

Stoich.:

ABC5D6E39F44 (1)

Weight, g/mol:

744.320224

ΔHf, kcal/mol:

-216.29

Dipole, Da:

2.55

IP(EA), eV:

 -8.77(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(piperidine-1-carbonyl)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)C(=O)N6CCCC6)Cl)C)F

DOS

IR

Vibrations