Geometry & MOs

Info

ID:

97930

PubChem CID:

50036838

Reduced:

Cl2F2O4N5C32H33 (1)

Stoich.:

A2B2C4D5E32F33 (1)

Weight, g/mol:

679.273689

ΔHf, kcal/mol:

-228.17

Dipole, Da:

2.32

IP(EA), eV:

 -9.18(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[5-[(2,5-difluorophenyl)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)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations