Geometry & MOs

Info

ID:

97040

PubChem CID:

50027161

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

676.282089

ΔHf, kcal/mol:

-268.01

Dipole, Da:

9.04

IP(EA), eV:

 -8.88(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations