Geometry & MOs

Info

ID:

117569

PubChem CID:

50607792

Reduced:

ClN6O7C29H35 (1)

Stoich.:

AB6C7D29E35 (1)

Weight, g/mol:

612.246311

ΔHf, kcal/mol:

-258.09

Dipole, Da:

9.32

IP(EA), eV:

 -9.14(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[2-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations