Geometry & MOs

Info

ID:

118431

PubChem CID:

50643357

Reduced:

ClN6O7C33H43 (1)

Stoich.:

AB6C7D33E43 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-279.39

Dipole, Da:

12.36

IP(EA), eV:

 -9.01(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)OC

DOS

IR

Vibrations