Geometry & MOs

Info

ID:

106824

PubChem CID:

50178176

Reduced:

NOC6H8 (6)

Stoich.:

ABC6D8 (6)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-246.63

Dipole, Da:

7.66

IP(EA), eV:

 -8.85(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations