Geometry & MOs

Info

ID:	227652
PubChem CID:	87562167
Reduced:	BrN3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	462.103162
ΔH_f, kcal/mol:	-104.27
Dipole, Da:	3.07
IP(EA), eV:	-9.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[5-[[(1S,2R,3S)-2,3-dihydroxycyclohexyl]sulfamoyl]pyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC(=NC(=N1)NCCOC)Br

DOS

IR

Vibrations