Geometry & MOs

Info

ID:

97427

PubChem CID:

50031599

Reduced:

ClF2O4N5C34H38 (1)

Stoich.:

AB2C4D5E34F38 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-228.35

Dipole, Da:

4.72

IP(EA), eV:

 -9.13(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations