Geometry & MOs

Info

ID:

112961

PubChem CID:

50427438

Reduced:

FO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

678.296597

ΔHf, kcal/mol:

-176.32

Dipole, Da:

6.91

IP(EA), eV:

 -8.8(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-benzamidoanilino)-2-oxoethyl]-1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)N5CCCC5)C

DOS

IR

Vibrations