Geometry & MOs

Info

ID:

113737

PubChem CID:

50456634

Reduced:

F4O5N6H40C41 (1)

Stoich.:

A4B5C6D40E41 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-313.25

Dipole, Da:

3.7

IP(EA), eV:

 -9.06(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations