Geometry & MOs

Info

ID:

118007

PubChem CID:

50624037

Reduced:

ClO5N6C34H37 (1)

Stoich.:

AB5C6D34E37 (1)

Weight, g/mol:

623.211089

ΔHf, kcal/mol:

-160.68

Dipole, Da:

10.53

IP(EA), eV:

 -9.0(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations