Geometry & MOs

Info

ID:

186949

PubChem CID:

77508157

Reduced:

SN4O4C29H42 (1)

Stoich.:

AB4C4D29E42 (1)

Weight, g/mol:

472.26857

ΔHf, kcal/mol:

-150.17

Dipole, Da:

1.88

IP(EA), eV:

 -8.33(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-ethylpiperazin-1-yl)-N-[1-(6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)N1CC(C2C1C(=O)CO2)SC)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)C5CCC5

DOS

IR

Vibrations