Geometry & MOs

Info

ID:

117237

PubChem CID:

50595717

Reduced:

ClFN5O5C35H39 (1)

Stoich.:

ABC5D5E35F39 (1)

Weight, g/mol:

553.245582

ΔHf, kcal/mol:

-213.77

Dipole, Da:

3.81

IP(EA), eV:

 -8.42(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)F)OC

DOS

IR

Vibrations