Geometry & MOs

Info

ID:	48425
PubChem CID:	10547692
Reduced:	SiO7C17H34 (1)
Stoich.:	AB7C17D34 (1)
Weight, g/mol:	379.039355
ΔH_f, kcal/mol:	-375.13
Dipole, Da:	1.61
IP(EA), eV:	-9.0(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(2-methyl-5-nitro-3-oxo-1,2-benzothiazol-1-ium-1-yl)benzamide;chloride

Drug info:

PubChemData

Smile

CC(=O)OC([C@H]([C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)C=O)OC)OC)OC

DOS

IR

Vibrations