Geometry & MOs

Info

ID:

99277

PubChem CID:

50049599

Reduced:

FCl2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-181.03

Dipole, Da:

10.72

IP(EA), eV:

 -8.72(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations