Geometry & MOs

Info

ID:	68129
PubChem CID:	46507804
Reduced:	FSN4H9C12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	250.088832
ΔH_f, kcal/mol:	55.6
Dipole, Da:	2.35
IP(EA), eV:	-8.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC3=C2N=CN=C3NN)F

DOS

IR

Vibrations