Geometry & MOs

Info

ID:

93215

PubChem CID:

49992563

Reduced:

N5O5C37H51 (1)

Stoich.:

A5B5C37D51 (1)

Weight, g/mol:

657.332648

ΔHf, kcal/mol:

-226.67

Dipole, Da:

4.41

IP(EA), eV:

 -8.22(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(2-fluorobenzoyl)amino]-4-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)OC

DOS

IR

Vibrations