Geometry & MOs

Info

ID:	172089
PubChem CID:	75464536
Reduced:	SN2O5C12H20 (1)
Stoich.:	AB2C5D12E20 (1)
Weight, g/mol:	222.082684
ΔH_f, kcal/mol:	-230.79
Dipole, Da:	8.16
IP(EA), eV:	-9.6(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbothioic S-acid

Drug info:

PubChemData

Smile

CC1(C(CC(=O)O1)C(=O)N2CCN(CC2)S(=O)(=O)C)C

DOS

IR

Vibrations