Geometry & MOs

Info

ID:

108997

PubChem CID:

50267719

Reduced:

F2N5O5C37H37 (1)

Stoich.:

A2B5C5D37E37 (1)

Weight, g/mol:

609.331505

ΔHf, kcal/mol:

-218.27

Dipole, Da:

13.33

IP(EA), eV:

 -8.7(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations