Geometry & MOs

Info

ID:	232143
PubChem CID:	87575596
Reduced:	OSeC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	565.23589
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	2.82
IP(EA), eV:	-8.29(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-5-pyrrolidin-1-ylsulfonyl-1H-indol-2-one

Drug info:

PubChemData

Smile

CCC(C)OC1=CC2=C(C=C1)C=C[Se]2

DOS

IR

Vibrations