Geometry & MOs

Info

ID:

111527

PubChem CID:

50371480

Reduced:

FN5O5C33H36 (1)

Stoich.:

AB5C5D33E36 (1)

Weight, g/mol:

619.260626

ΔHf, kcal/mol:

-197.41

Dipole, Da:

4.3

IP(EA), eV:

 -8.89(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(4-fluorobenzoyl)amino]phenyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)F)C(=O)N5CCOCC5

DOS

IR

Vibrations