Geometry & MOs

Info

ID:

109105

PubChem CID:

50273010

Reduced:

O5N6C41H50 (1)

Stoich.:

A5B6C41D50 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-189.15

Dipole, Da:

7.15

IP(EA), eV:

 -8.6(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC=CC=C6C)C

DOS

IR

Vibrations