Geometry & MOs

Info

ID:

108381

PubChem CID:

50243030

Reduced:

FO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-173.07

Dipole, Da:

7.09

IP(EA), eV:

 -8.82(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-benzamido-2-chloroanilino)-1-oxopropan-2-yl]-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)N)C

DOS

IR

Vibrations