Geometry & MOs

Info

ID:

108685

PubChem CID:

50254612

Reduced:

FN6O6C39H41 (1)

Stoich.:

AB6C6D39E41 (1)

Weight, g/mol:

708.282696

ΔHf, kcal/mol:

-214.01

Dipole, Da:

6.17

IP(EA), eV:

 -8.85(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations