Geometry & MOs

Info

ID:

116938

PubChem CID:

50581508

Reduced:

ClO4N5C28H34 (1)

Stoich.:

AB4C5D28E34 (1)

Weight, g/mol:

615.23791

ΔHf, kcal/mol:

-164.8

Dipole, Da:

7.8

IP(EA), eV:

 -8.99(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations