Geometry & MOs

Info

ID:

110904

PubChem CID:

50343745

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-282.09

Dipole, Da:

5.05

IP(EA), eV:

 -8.85(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-fluorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations