Geometry & MOs

Info

ID:

119309

PubChem CID:

50677381

Reduced:

ClN6O7C35H39 (1)

Stoich.:

AB6C7D35E39 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-231.02

Dipole, Da:

7.22

IP(EA), eV:

 -8.45(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-5-chlorophenyl]-1-[1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations