Geometry & MOs

Info

ID:	373322
PubChem CID:	131313220
Reduced:	SO4C10H10 (1)
Stoich.:	AB4C10D10 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-133.81
Dipole, Da:	2.49
IP(EA), eV:	-9.15(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-methyl-6,7-dihydro-5H-1,3-benzothiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=O)CCOC2=CS1

DOS

IR

Vibrations