Geometry & MOs

Info

ID:

111432

PubChem CID:

50366707

Reduced:

FN3O3C18H20 (2)

Stoich.:

AB3C3D18E20 (2)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-289.56

Dipole, Da:

6.67

IP(EA), eV:

 -8.83(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4=C(C=CC=C4F)F)C(=O)N5CCOCC5

DOS

IR

Vibrations