Geometry & MOs

Info

ID:

100554

PubChem CID:

50062308

Reduced:

F3O5N6C43H47 (1)

Stoich.:

A3B5C6D43E47 (1)

Weight, g/mol:

597.295119

ΔHf, kcal/mol:

-306.1

Dipole, Da:

4.61

IP(EA), eV:

 -9.01(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations