Geometry & MOs

Info

ID:

116668

PubChem CID:

50570958

Reduced:

Cl2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-193.66

Dipole, Da:

2.18

IP(EA), eV:

 -8.77(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-chloro-3-(2-methylpropanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations