Geometry & MOs

Info

ID:

186956

PubChem CID:

77508164

Reduced:

O4N5C28H41 (1)

Stoich.:

A4B5C28D41 (1)

Weight, g/mol:

502.261377

ΔHf, kcal/mol:

-163.07

Dipole, Da:

5.25

IP(EA), eV:

 -8.45(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-ethylpiperazin-1-yl)-N-[4-methyl-1-(6-methylsulfanyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1CNCCN1C2=CC=C(C=C2)C(=O)NC(C3CCCCC3)C(=O)N4CC(C5C4C(=O)CO5)N

DOS

IR

Vibrations