Geometry & MOs

Info

ID:	227465
PubChem CID:	87561806
Reduced:	ClSF2N3O3C27H28 (1)
Stoich.:	ABC2D3E3F27G28 (1)
Weight, g/mol:	362.087118
ΔH_f, kcal/mol:	-191.24
Dipole, Da:	4.86
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)pyridin-3-yl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC1(CCC2=C(C1)C3=C(N2)C(=CC(=C3)F)Cl)C(=O)O)NC(=S)CC4=CC=CC=C4F

DOS

IR

Vibrations