Geometry & MOs

Info

ID:

118893

PubChem CID:

50663160

Reduced:

ClO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-184.73

Dipole, Da:

4.15

IP(EA), eV:

 -9.23(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-6-methylphenyl]-1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl)C

DOS

IR

Vibrations