Geometry & MOs

Info

ID:	352643
PubChem CID:	127283732
Reduced:	OS2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	384.107854
ΔH_f, kcal/mol:	73.12
Dipole, Da:	5.95
IP(EA), eV:	-8.58(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=NC=CN=C4)N5CCS(=O)CC5

DOS

IR

Vibrations