Geometry & MOs

Info

ID:	28889
PubChem CID:	830336
Reduced:	SN3O5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-119.91
Dipole, Da:	8.27
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)O)COC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations