Geometry & MOs

Info

ID:

96017

PubChem CID:

50018457

Reduced:

ClFO5N6C41H42 (1)

Stoich.:

ABC5D6E41F42 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-189.47

Dipole, Da:

7.5

IP(EA), eV:

 -8.89(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methylpropanoylamino)phenyl]-1-[1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=CC=C6)Cl

DOS

IR

Vibrations