Geometry & MOs

Info

ID:	73858
PubChem CID:	48420771
Reduced:	ClSO2N7C16H16 (1)
Stoich.:	ABC2D7E16F16 (1)
Weight, g/mol:	403.050588
ΔH_f, kcal/mol:	86.05
Dipole, Da:	3.15
IP(EA), eV:	-9.73(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=N2)SCC(=O)OC(CN3C=NC=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations