Geometry & MOs

Info

ID:	249550
PubChem CID:	103090411
Reduced:	NS2O4C11H21 (1)
Stoich.:	AB2C4D11E21 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-181.97
Dipole, Da:	7.22
IP(EA), eV:	-8.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(4-methylsulfanylbutyl)anilino]acetic acid

Drug info:

PubChemData

Smile

CSCCCCN(CC(=O)O)C1CCS(=O)(=O)C1

DOS

IR

Vibrations