Geometry & MOs

Info

ID:	41597
PubChem CID:	8146423
Reduced:	ClSO3N4C18H23 (1)
Stoich.:	ABC3D4E18F23 (1)
Weight, g/mol:	283.052781
ΔH_f, kcal/mol:	-62.0
Dipole, Da:	9.38
IP(EA), eV:	-8.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(benzotriazol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N=C(N2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations