Geometry & MOs

Info

ID:

97192

PubChem CID:

50028410

Reduced:

ClF2N5O5C33H34 (1)

Stoich.:

AB2C5D5E33F34 (1)

Weight, g/mol:

665.258039

ΔHf, kcal/mol:

-245.36

Dipole, Da:

6.49

IP(EA), eV:

 -9.12(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations