Geometry & MOs

Info

ID:

108558

PubChem CID:

50249684

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

595.240639

ΔHf, kcal/mol:

-228.84

Dipole, Da:

8.03

IP(EA), eV:

 -8.37(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations