Geometry & MOs

Info

ID:

100101

PubChem CID:

50058210

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

736.23841

ΔHf, kcal/mol:

-241.31

Dipole, Da:

5.61

IP(EA), eV:

 -8.97(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(propylcarbamoyl)anilino]-2-oxoethyl]-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)NCC(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations