Geometry & MOs

Info

ID:

119219

PubChem CID:

50674205

Reduced:

ClFO4N5C35H39 (1)

Stoich.:

ABC4D5E35F39 (1)

Weight, g/mol:

643.292532

ΔHf, kcal/mol:

-186.38

Dipole, Da:

6.55

IP(EA), eV:

 -8.95(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCCC2)Cl)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations