Geometry & MOs

Info

ID:

119016

PubChem CID:

50667105

Reduced:

ClN6O6C33H41 (1)

Stoich.:

AB6C6D33E41 (1)

Weight, g/mol:

626.261961

ΔHf, kcal/mol:

-228.91

Dipole, Da:

5.38

IP(EA), eV:

 -9.13(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methoxyanilino)-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations