Geometry & MOs

Info

ID:	383303
PubChem CID:	134974945
Reduced:	NC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	-18.85
Dipole, Da:	2.32
IP(EA), eV:	-8.36(2.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] benzenecarbothioate

Drug info:

PubChemData

Smile

C1CCN2CCC3CCCCN3CC[C@@H]2C1

DOS

IR

Vibrations