Geometry & MOs

Info

ID:	50528
PubChem CID:	12013073
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-16.82
Dipole, Da:	4.04
IP(EA), eV:	-8.29(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-hydroxypropyl)-1,3-benzothiazol-2-ylidene]acetamide

Drug info:

PubChemData

Smile

CCN=C1N(C2=CC=CC=C2S1)CC(C)O

DOS

IR

Vibrations