Geometry & MOs

Info

ID:

92716

PubChem CID:

49989216

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

583.297011

ΔHf, kcal/mol:

-278.87

Dipole, Da:

9.84

IP(EA), eV:

 -8.89(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations