Geometry & MOs

Info

ID:

96221

PubChem CID:

50019439

Reduced:

F4O4N5C32H33 (1)

Stoich.:

A4B4C5D32E33 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-301.75

Dipole, Da:

4.33

IP(EA), eV:

 -9.28(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations