Geometry & MOs

Info

ID:	27276
PubChem CID:	820166
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	-43.66
Dipole, Da:	3.1
IP(EA), eV:	-8.55(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1-phenylethanol

Drug info:

PubChemData

Smile

CN=C1N(C2=CC=CC=C2S1)CCC(=O)O

DOS

IR

Vibrations