Geometry & MOs

Info

ID:

112879

PubChem CID:

50424103

Reduced:

F2N6O6C39H48 (1)

Stoich.:

A2B6C6D39E48 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-314.9

Dipole, Da:

8.54

IP(EA), eV:

 -9.12(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)OC)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations