Geometry & MOs

Info

ID:

116917

PubChem CID:

50581127

Reduced:

ClN5O5C30H38 (1)

Stoich.:

AB5C5D30E38 (1)

Weight, g/mol:

607.217317

ΔHf, kcal/mol:

-203.26

Dipole, Da:

9.46

IP(EA), eV:

 -8.54(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations