Geometry & MOs

Info

ID:

119426

PubChem CID:

50684415

Reduced:

ClN6O6C36H45 (1)

Stoich.:

AB6C6D36E45 (1)

Weight, g/mol:

656.228074

ΔHf, kcal/mol:

-233.35

Dipole, Da:

10.48

IP(EA), eV:

 -9.08(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-5-chlorophenyl)-1-[1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)Cl

DOS

IR

Vibrations