Geometry & MOs

Info

ID:

119722

PubChem CID:

50698171

Reduced:

ClFN6O6C37H42 (1)

Stoich.:

ABC6D6E37F42 (1)

Weight, g/mol:

615.23791

ΔHf, kcal/mol:

-252.5

Dipole, Da:

6.56

IP(EA), eV:

 -8.74(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations