Geometry & MOs

Info

ID:	42585
PubChem CID:	8149739
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	320.179659
ΔH_f, kcal/mol:	-60.69
Dipole, Da:	7.16
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl]-(2-methylpropyl)azanium

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N[C@H]3CN4CCC3CC4

DOS

IR

Vibrations