Geometry & MOs

Info

ID:

112955

PubChem CID:

50427432

Reduced:

ClFO4N5C35H41 (1)

Stoich.:

ABC4D5E35F41 (1)

Weight, g/mol:

607.23616

ΔHf, kcal/mol:

-202.08

Dipole, Da:

3.52

IP(EA), eV:

 -8.82(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations