Geometry & MOs

Info

ID:	431012
PubChem CID:	135171082
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	413.107533
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	1.61
IP(EA), eV:	-8.36(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)SNC2=CC3=C(N=C2)OCCN(C3)C(=O)CO

DOS

IR

Vibrations