Geometry & MOs

Info

ID:	184621
PubChem CID:	77184270
Reduced:	ClSO2N4C26H29 (1)
Stoich.:	ABC2D4E26F29 (1)
Weight, g/mol:	464.231122
ΔH_f, kcal/mol:	-27.09
Dipole, Da:	4.47
IP(EA), eV:	-8.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1C3=C(SC(=C3)C4=CC=NC=C4)C5CCNN5)C=CC(=C2)Cl

DOS

IR

Vibrations