Geometry & MOs

Info

ID:

103547

PubChem CID:

50071729

Reduced:

F2N5O5C37H37 (1)

Stoich.:

A2B5C5D37E37 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-224.46

Dipole, Da:

12.3

IP(EA), eV:

 -8.87(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations