Geometry & MOs

Info

ID:

185070

PubChem CID:

77251061

Reduced:

N4O4C27H40 (1)

Stoich.:

A4B4C27D40 (1)

Weight, g/mol:

579.287926

ΔHf, kcal/mol:

-160.33

Dipole, Da:

6.3

IP(EA), eV:

 -8.23(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-cyclopentyl-2-oxo-2-(3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CC(C2C1C(=O)CO2)C(C)C)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)C

DOS

IR

Vibrations