Geometry & MOs

Info

ID:

112559

PubChem CID:

50411645

Reduced:

F2O4N5C29H29 (1)

Stoich.:

A2B4C5D29E29 (1)

Weight, g/mol:

582.235746

ΔHf, kcal/mol:

-209.43

Dipole, Da:

8.54

IP(EA), eV:

 -9.04(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-chlorophenyl)-1-[1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations