Geometry & MOs

Info

ID:	381345
PubChem CID:	134972051
Reduced:	SO6C29H32 (1)
Stoich.:	AB6C29D32 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	-181.73
Dipole, Da:	0.32
IP(EA), eV:	-9.25(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylbenzimidazol-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide

Drug info:

PubChemData

Smile

CC(=O)SC[C@@H]([C@@H]([C@H](C(=O)OC)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations