Geometry & MOs

Info

ID:

108473

PubChem CID:

50247175

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-251.39

Dipole, Da:

6.77

IP(EA), eV:

 -9.09(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(4-fluorobenzoyl)amino]phenyl]-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)CC5=CC=C(C=C5)F)C)C

DOS

IR

Vibrations