Geometry & MOs

Info

ID:	431196
PubChem CID:	135171266
Reduced:	OC28H50 (1)
Stoich.:	AB28C50 (1)
Weight, g/mol:	427.123183
ΔH_f, kcal/mol:	-125.22
Dipole, Da:	2.16
IP(EA), eV:	-8.7(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-methyl-5-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-7-phosphanylthieno[2,3-b]pyridine-4,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCC(C)(CCCCCCCC)CC1=CC(=CC=C1)OC

DOS

IR

Vibrations