Geometry & MOs

Info

ID:

104024

PubChem CID:

50086924

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-237.12

Dipole, Da:

6.6

IP(EA), eV:

 -9.15(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations