Geometry & MOs

Info

ID:

114468

PubChem CID:

50484046

Reduced:

F2O5N6C41H50 (1)

Stoich.:

A2B5C6D41E50 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-296.13

Dipole, Da:

10.43

IP(EA), eV:

 -8.38(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)F)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations