Geometry & MOs

Info

ID:

97236

PubChem CID:

50028814

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-276.28

Dipole, Da:

7.54

IP(EA), eV:

 -8.98(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations