Geometry & MOs

Info

ID:	25538
PubChem CID:	626303
Reduced:	O2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	294.018702
ΔH_f, kcal/mol:	-144.79
Dipole, Da:	5.17
IP(EA), eV:	-9.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-imino-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CCCCC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations