Geometry & MOs

Info

ID:	426545
PubChem CID:	135145903
Reduced:	SO2N6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	464.199445
ΔH_f, kcal/mol:	-0.94
Dipole, Da:	11.58
IP(EA), eV:	-8.17(-1.11)
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]-4-[[(3R)-oxan-3-yl]amino]thieno[2,3-b]pyridin-6-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C/4\C(=C5C=CSC5=NC4=O)NC6CCOCC6)/N3

DOS

IR

Vibrations