Geometry & MOs

Info

ID:

91096

PubChem CID:

49973276

Reduced:

N5O6C33H41 (1)

Stoich.:

A5B6C33D41 (1)

Weight, g/mol:

597.276276

ΔHf, kcal/mol:

-215.98

Dipole, Da:

5.8

IP(EA), eV:

 -9.12(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)C

DOS

IR

Vibrations