Geometry & MOs

Info

ID:	226545
PubChem CID:	87464911
Reduced:	Cl3O3C13H14 (2)
Stoich.:	A3B3C13D14 (2)
Weight, g/mol:	240.038875
ΔH_f, kcal/mol:	-254.79
Dipole, Da:	3.29
IP(EA), eV:	-9.36(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)C(=O)OC2=C(C(=C(C=C2Cl)Cl)Cl)OCCCCCC

DOS

IR

Vibrations