Geometry & MOs

Info

ID:	284856
PubChem CID:	104077675
Reduced:	ClSN3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	243.092915
ΔH_f, kcal/mol:	71.12
Dipole, Da:	2.83
IP(EA), eV:	-9.45(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-hydroxy-2-methyl-3-(1,3-thiazol-5-yl)propanoate

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=C(N=C2Cl)C3=NC=CS3

DOS

IR

Vibrations