Geometry & MOs

Info

ID:

109263

PubChem CID:

50278807

Reduced:

F2O4N5C39H41 (1)

Stoich.:

A2B4C5D39E41 (1)

Weight, g/mol:

663.262375

ΔHf, kcal/mol:

-202.37

Dipole, Da:

5.37

IP(EA), eV:

 -8.81(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(morpholine-4-carbonyl)phenyl]-1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)C)C)F

DOS

IR

Vibrations