Geometry & MOs

Info

ID:

91778

PubChem CID:

49979023

Reduced:

ClN5O5C31H40 (1)

Stoich.:

AB5C5D31E40 (1)

Weight, g/mol:

682.347883

ΔHf, kcal/mol:

-208.17

Dipole, Da:

8.82

IP(EA), eV:

 -8.63(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-methoxy-4-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations