Geometry & MOs

Info

ID:	1821
PubChem CID:	5127
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-38.48
Dipole, Da:	7.98
IP(EA), eV:	-9.35(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-(methylsulfonodiimidoyl)propanoic acid

Drug info:

PubChemData

Smile

CS(=N)(=N)CC(CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations