Geometry & MOs

Info

ID:	225659
PubChem CID:	87225332
Reduced:	SN6O7H22C24 (1)
Stoich.:	AB6C7D22E24 (1)
Weight, g/mol:	455.108582
ΔH_f, kcal/mol:	-188.27
Dipole, Da:	11.85
IP(EA), eV:	-8.81(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(1,1-dihydroxy-1,4-thiazinan-4-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)N/C(=C/3\C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)NCCC(=O)O)/N2

DOS

IR

Vibrations