Geometry & MOs

Info

ID:

109399

PubChem CID:

50282937

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-216.98

Dipole, Da:

12.33

IP(EA), eV:

 -9.08(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC(=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F)C)C

DOS

IR

Vibrations