Geometry & MOs

Info

ID:

100899

PubChem CID:

50064151

Reduced:

F2N5O5H35C36 (1)

Stoich.:

A2B5C5D35E36 (1)

Weight, g/mol:

655.260626

ΔHf, kcal/mol:

-215.3

Dipole, Da:

6.55

IP(EA), eV:

 -8.46(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations