Geometry & MOs

Info

ID:	7322
PubChem CID:	72157
Reduced:	SN2O3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	266.072513
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	2.14
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(6-propoxy-1,3-benzothiazol-2-yl)carbamate

Drug info:

PubChemData

Smile

CCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)OC

DOS

IR

Vibrations