Geometry & MOs

Info

ID:

109178

PubChem CID:

50275478

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

649.306433

ΔHf, kcal/mol:

-152.71

Dipole, Da:

10.0

IP(EA), eV:

 -8.54(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations