Geometry & MOs

Info

ID:	352707
PubChem CID:	127283796
Reduced:	S2N3O4C14H19 (1)
Stoich.:	A2B3C4D14E19 (1)
Weight, g/mol:	336.107854
ΔH_f, kcal/mol:	-117.41
Dipole, Da:	3.09
IP(EA), eV:	-8.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=C2)S(=O)(=O)N)C(=O)CN3CCS(=O)CC3

DOS

IR

Vibrations