Geometry & MOs

Info

ID:

92832

PubChem CID:

49989794

Reduced:

FN6O6C41H49 (1)

Stoich.:

AB6C6D41E49 (1)

Weight, g/mol:

742.360946

ΔHf, kcal/mol:

-266.81

Dipole, Da:

10.68

IP(EA), eV:

 -8.72(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC(=CC=C6)OC)F

DOS

IR

Vibrations