Geometry & MOs

Info

ID:

113741

PubChem CID:

50456814

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-272.36

Dipole, Da:

5.01

IP(EA), eV:

 -9.11(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations