Geometry & MOs

Info

ID:	249559
PubChem CID:	103090466
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	257.14495
ΔH_f, kcal/mol:	-84.33
Dipole, Da:	6.71
IP(EA), eV:	-8.59(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylsulfanylbutylamino)bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CSCCCCN1CC(C1)C(=O)O

DOS

IR

Vibrations