Geometry & MOs

Info

ID:	352642
PubChem CID:	127283731
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	385.103103
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	4.01
IP(EA), eV:	-8.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-pyrazin-2-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)CN4CCOCC4)N5CC[C@H](C5)O

DOS

IR

Vibrations