Geometry & MOs

Info

ID:

105792

PubChem CID:

50139510

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-221.58

Dipole, Da:

9.2

IP(EA), eV:

 -8.85(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(3-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations