Geometry & MOs

Info

ID:

107048

PubChem CID:

50186774

Reduced:

FO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

623.347155

ΔHf, kcal/mol:

-179.27

Dipole, Da:

7.73

IP(EA), eV:

 -8.52(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F)C

DOS

IR

Vibrations