Geometry & MOs

Info

ID:

120358

PubChem CID:

50724044

Reduced:

ClFO4N5C31H33 (1)

Stoich.:

ABC4D5E31F33 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-171.08

Dipole, Da:

4.94

IP(EA), eV:

 -8.67(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[(3-fluorobenzoyl)amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations