Geometry & MOs

Info

ID:	262028
PubChem CID:	103266797
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	5.14
IP(EA), eV:	-9.32(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethylsulfinylethylamino)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)CCNCC1=CSC(=N1)C(=O)O

DOS

IR

Vibrations