Geometry & MOs

Info

ID:	127060
PubChem CID:	50989121
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-26.48
Dipole, Da:	3.27
IP(EA), eV:	-8.58(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)NCC2=CN=CC=C2)N

DOS

IR

Vibrations