Geometry & MOs

Info

ID:

110119

PubChem CID:

50311122

Reduced:

FN4O4C32H37 (1)

Stoich.:

AB4C4D32E37 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-170.81

Dipole, Da:

6.39

IP(EA), eV:

 -8.78(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC)C)F

DOS

IR

Vibrations