Geometry & MOs

Info

ID:	188705
PubChem CID:	77757865
Reduced:	ClO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	355.023847
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	2.8
IP(EA), eV:	-9.67(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(hydroxymethyl)-1,2-benzothiazol-5-yl]-5-methylidene-6-(trifluoromethyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C)C1(C=CC(C=C1)C2=CC=CC=C2)Cl

DOS

IR

Vibrations