Geometry & MOs

Info

ID:

119504

PubChem CID:

50688163

Reduced:

ClFN6O6C37H42 (1)

Stoich.:

ABC6D6E37F42 (1)

Weight, g/mol:

700.254289

ΔHf, kcal/mol:

-260.03

Dipole, Da:

4.54

IP(EA), eV:

 -8.74(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl)F

DOS

IR

Vibrations