Geometry & MOs

Info

ID:

115225

PubChem CID:

50513895

Reduced:

ClN6O6C32H43 (1)

Stoich.:

AB6C6D32E43 (1)

Weight, g/mol:

661.283111

ΔHf, kcal/mol:

-253.78

Dipole, Da:

9.63

IP(EA), eV:

 -8.94(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-[1-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)NC)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations