Geometry & MOs

Info

ID:

113678

PubChem CID:

50454431

Reduced:

ClF2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

706.384269

ΔHf, kcal/mol:

-232.09

Dipole, Da:

3.28

IP(EA), eV:

 -9.15(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-5-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations