Geometry & MOs

Info

ID:

111446

PubChem CID:

50368093

Reduced:

F2O5N6C43H54 (1)

Stoich.:

A2B5C6D43E54 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-306.33

Dipole, Da:

10.24

IP(EA), eV:

 -8.96(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)C

DOS

IR

Vibrations