Geometry & MOs

Info

ID:

118907

PubChem CID:

50663395

Reduced:

ClN6O6C38H51 (1)

Stoich.:

AB6C6D38E51 (1)

Weight, g/mol:

615.23791

ΔHf, kcal/mol:

-267.2

Dipole, Da:

7.49

IP(EA), eV:

 -8.72(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[3-chloro-4-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations