Geometry & MOs

Info

ID:	24926
PubChem CID:	614616
Reduced:	NSO6C18H23 (1)
Stoich.:	ABC6D18E23 (1)
Weight, g/mol:	381.124609
ΔH_f, kcal/mol:	-162.02
Dipole, Da:	4.23
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-methylphenyl)sulfonyloxy-2-oxa-7-azatricyclo[4.4.0.03,8]decane-7-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CCC3C1CC(C2O3)OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations