Geometry & MOs

Info

ID:

113111

PubChem CID:

50431179

Reduced:

ClF2O5N6C39H39 (1)

Stoich.:

AB2C5D6E39F39 (1)

Weight, g/mol:

752.288924

ΔHf, kcal/mol:

-242.07

Dipole, Da:

7.17

IP(EA), eV:

 -8.98(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(phenylcarbamoyl)phenyl]-1-[1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations