Geometry & MOs

Info

ID:	54982
PubChem CID:	17389620
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	244.051778
ΔH_f, kcal/mol:	-156.79
Dipole, Da:	3.79
IP(EA), eV:	-8.06(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H]1CCNC1C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations