Geometry & MOs

Info

ID:	13908
PubChem CID:	399841
Reduced:	N2S2O5C11H12 (1)
Stoich.:	A2B2C5D11E12 (1)
Weight, g/mol:	316.018764
ΔH_f, kcal/mol:	-179.25
Dipole, Da:	6.1
IP(EA), eV:	-9.44(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(10S,12R)-2,9-dioxo-6-thia-1,8-diazatricyclo[8.3.0.03,7]trideca-3(7),4-dien-12-yl] methanesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)O[C@@H]1C[C@H]2C(=O)NC3=C(C=CS3)C(=O)N2C1

DOS

IR

Vibrations