Geometry & MOs

Info

ID:

112802

PubChem CID:

50420916

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-166.31

Dipole, Da:

6.02

IP(EA), eV:

 -8.86(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-fluoroanilino)-1-oxopropan-2-yl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations