Geometry & MOs

Info

ID:

113572

PubChem CID:

50451556

Reduced:

ClF2O4N5C34H36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

665.258039

ΔHf, kcal/mol:

-227.74

Dipole, Da:

7.33

IP(EA), eV:

 -9.05(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclohexylcarbamoyl)phenyl]-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4CCCC4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations