Geometry & MOs

Info

ID:	30694
PubChem CID:	841735
Reduced:	NSO3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	269.162708
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	6.57
IP(EA), eV:	-9.19(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-(dipropylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations