Geometry & MOs

Info

ID:	145603
PubChem CID:	53554579
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	342.078662
ΔH_f, kcal/mol:	-82.68
Dipole, Da:	4.0
IP(EA), eV:	-8.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[6-(pyridine-4-carbonylamino)-1,3-benzothiazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N(C)CC(=O)NCC1=CC=C(C=C1)OC2=CC=CC=C2

DOS

IR

Vibrations