Geometry & MOs

Info

ID:	53270
PubChem CID:	14709950
Reduced:	NSO3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	354.142701
ΔH_f, kcal/mol:	-162.23
Dipole, Da:	3.59
IP(EA), eV:	-9.33(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-acetyloxy-6-cyano-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.1]heptan-3-yl] acetate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)SC(C)CC(=O)OC

DOS

IR

Vibrations