Geometry & MOs

Info

ID:

92614

PubChem CID:

49988547

Reduced:

F3O4N5C35H46 (1)

Stoich.:

A3B4C5D35E46 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-347.81

Dipole, Da:

10.11

IP(EA), eV:

 -9.07(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations