Geometry & MOs

Info

ID:

93109

PubChem CID:

49991637

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-283.66

Dipole, Da:

6.04

IP(EA), eV:

 -8.66(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]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(=O)NC4=C(C=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)F

DOS

IR

Vibrations