Geometry & MOs

Info

ID:

114499

PubChem CID:

50485214

Reduced:

F2N5O5C37H37 (1)

Stoich.:

A2B5C5D37E37 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-219.48

Dipole, Da:

7.93

IP(EA), eV:

 -8.79(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations