Geometry & MOs

Info

ID:	128743
PubChem CID:	51056582
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	5.24
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylanilino)methyl]-1,3-benzothiazol-2-one;hydrate

Drug info:

PubChemData

Smile

CCOC1=CC(=O)/C(=C\NNC(=O)CNC2=CC=CC=C2C)/C=C1

DOS

IR

Vibrations