Geometry & MOs

Info

ID:	18299
PubChem CID:	539488
Reduced:	SN2O3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	254.072513
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	6.96
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-(2-aminophenyl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CSC1=CC=CC=C1N)C(=O)O

DOS

IR

Vibrations