Geometry & MOs

Info

ID:

118401

PubChem CID:

50641593

Reduced:

ClF2O4N5C33H34 (1)

Stoich.:

AB2C4D5E33F34 (1)

Weight, g/mol:

559.17531

ΔHf, kcal/mol:

-204.94

Dipole, Da:

5.56

IP(EA), eV:

 -9.21(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-chlorophenyl)-1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCC2)Cl)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations