Geometry & MOs

Info

ID:	36413
PubChem CID:	8006206
Reduced:	ClSN3O4H16C17 (1)
Stoich.:	ABC3D4E16F17 (1)
Weight, g/mol:	394.068881
ΔH_f, kcal/mol:	-62.02
Dipole, Da:	7.3
IP(EA), eV:	-9.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN(CC1=NN=C(O1)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations