Geometry & MOs

Info

ID:	431123
PubChem CID:	135171193
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	541.106531
ΔH_f, kcal/mol:	-228.49
Dipole, Da:	4.23
IP(EA), eV:	-9.43(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,7-dimethyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-6-oxothieno[2,3-b]pyridin-4-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2CC(CS(=O)(=O)C2)O

DOS

IR

Vibrations