Geometry & MOs

Info

ID:	127575
PubChem CID:	51007009
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	142.045236
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	5.61
IP(EA), eV:	-8.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4S,5R)-3lambda4-thiatricyclo[3.2.1.02,4]octane 3-oxide

Drug info:

PubChemData

Smile

C1[C@H]2C(=O)NC[C@@H](N2)C3=CC(=C(C=C31)O)O

DOS

IR

Vibrations