Geometry & MOs

Info

ID:

90633

PubChem CID:

49970791

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-261.84

Dipole, Da:

10.04

IP(EA), eV:

 -8.76(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(propanoylamino)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC=C4C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations