Geometry & MOs

Info

ID:

101942

PubChem CID:

50065219

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-271.5

Dipole, Da:

5.12

IP(EA), eV:

 -9.14(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations