Geometry & MOs

Info

ID:

118327

PubChem CID:

50638742

Reduced:

ClN6O6C32H43 (1)

Stoich.:

AB6C6D32E43 (1)

Weight, g/mol:

619.212838

ΔHf, kcal/mol:

-250.75

Dipole, Da:

2.2

IP(EA), eV:

 -8.97(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-1-[1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-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)N)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl

DOS

IR

Vibrations