Geometry & MOs

Info

ID:

115138

PubChem CID:

50510900

Reduced:

ClFN6O6C34H38 (1)

Stoich.:

ABC6D6E34F38 (1)

Weight, g/mol:

738.273274

ΔHf, kcal/mol:

-253.36

Dipole, Da:

6.91

IP(EA), eV:

 -8.36(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(phenylcarbamoyl)phenyl]-1-[1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4F)Cl

DOS

IR

Vibrations