Geometry & MOs

Info

ID:

107064

PubChem CID:

50187704

Reduced:

FN6O6C33H43 (1)

Stoich.:

AB6C6D33E43 (1)

Weight, g/mol:

637.362805

ΔHf, kcal/mol:

-283.54

Dipole, Da:

4.28

IP(EA), eV:

 -8.82(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-5-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C)F

DOS

IR

Vibrations