Geometry & MOs

Info

ID:	372510
PubChem CID:	131298968
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	223.030314
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	2.37
IP(EA), eV:	-8.73(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-hydroxy-2-methyl-1,3-benzothiazole-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C(CCC2)(CO)N)O

DOS

IR

Vibrations