Geometry & MOs

Info

ID:	121873
PubChem CID:	50784816
Reduced:	ClFSN4O4C20H20 (1)
Stoich.:	ABCD4E4F20G20 (1)
Weight, g/mol:	413.115775
ΔH_f, kcal/mol:	-118.91
Dipole, Da:	2.13
IP(EA), eV:	-9.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=C(O3)C4=CC=NN4

DOS

IR

Vibrations