Geometry & MOs

Info

ID:

111095

PubChem CID:

50351938

Reduced:

F3O3N4C27H31 (1)

Stoich.:

A3B3C4D27E31 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-263.08

Dipole, Da:

9.59

IP(EA), eV:

 -8.78(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)N4CCCC4

DOS

IR

Vibrations