Geometry & MOs

Info

ID:

107556

PubChem CID:

50208707

Reduced:

FN5O5C31H34 (1)

Stoich.:

AB5C5D31E34 (1)

Weight, g/mol:

559.259483

ΔHf, kcal/mol:

-198.9

Dipole, Da:

6.55

IP(EA), eV:

 -8.74(-0.68)

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-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4OC)F

DOS

IR

Vibrations