Geometry & MOs

Info

ID:

92638

PubChem CID:

49988666

Reduced:

F3N5O5C32H40 (1)

Stoich.:

A3B5C5D32E40 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-370.2

Dipole, Da:

7.61

IP(EA), eV:

 -9.06(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations