Geometry & MOs

Info

ID:	21296
PubChem CID:	587874
Reduced:	OSN2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	196.067034
ΔH_f, kcal/mol:	-31.3
Dipole, Da:	3.79
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=N2)N)C

DOS

IR

Vibrations