Geometry & MOs

Info

ID:	50529
PubChem CID:	12013074
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	-63.99
Dipole, Da:	1.57
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylimino-1,3-benzothiazol-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(CN1C2=CC=CC=C2SC1=NC(=O)C)O

DOS

IR

Vibrations