Geometry & MOs

Info

ID:	148938
PubChem CID:	53788608
Reduced:	NSO5C11H13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	324.157288
ΔH_f, kcal/mol:	-195.05
Dipole, Da:	4.76
IP(EA), eV:	-9.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,4-dimethyl-2-oxooxolan-3-yl)oxycarbonyl-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@](CS)(C1=C(C=CC(=C1)O)O)C(=O)O

DOS

IR

Vibrations