Geometry & MOs

Info

ID:

99771

PubChem CID:

50054926

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-238.6

Dipole, Da:

4.22

IP(EA), eV:

 -8.9(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-carbamoyl-3-chloroanilino)-1-oxopropan-2-yl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations