Geometry & MOs

Info

ID:

95383

PubChem CID:

50008913

Reduced:

N3O3C17H22 (2)

Stoich.:

A3B3C17D22 (2)

Weight, g/mol:

541.250061

ΔHf, kcal/mol:

-226.97

Dipole, Da:

6.07

IP(EA), eV:

 -8.94(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations