Geometry & MOs

Info

ID:

185066

PubChem CID:

77250996

Reduced:

ClO2N4C23H23 (1)

Stoich.:

AB2C4D23E23 (1)

Weight, g/mol:

579.287926

ΔHf, kcal/mol:

-27.62

Dipole, Da:

6.64

IP(EA), eV:

 -8.94(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C2=NC3=C(N2)C=C(C=C3)Cl)N4CCC=CCC4=O

DOS

IR

Vibrations