Geometry & MOs

Info

ID:	249560
PubChem CID:	103090468
Reduced:	NSO2C13H23 (1)
Stoich.:	ABC2D13E23 (1)
Weight, g/mol:	243.1293
ΔH_f, kcal/mol:	-99.85
Dipole, Da:	4.13
IP(EA), eV:	-8.57(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methylsulfanylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CSCCCCNC1C2CCC(C2)C1C(=O)O

DOS

IR

Vibrations