Geometry & MOs

Info

ID:

114195

PubChem CID:

50473843

Reduced:

F2O5N6C36H40 (1)

Stoich.:

A2B5C6D36E40 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-254.03

Dipole, Da:

6.08

IP(EA), eV:

 -8.99(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4CCCC4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations