Geometry & MOs

Info

ID:	343244
PubChem CID:	127266417
Reduced:	ClS2O3N4C13H19 (1)
Stoich.:	AB2C3D4E13F19 (1)
Weight, g/mol:	445.9564
ΔH_f, kcal/mol:	-139.08
Dipole, Da:	5.23
IP(EA), eV:	-9.43(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(iodomethyl)-2,4-dimethyl-1,3a-dihydro-[1,3]thiazolo[3,2-a]benzimidazole;perchloric acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CS)C.CC(=N)N.Cl

DOS

IR

Vibrations