Geometry & MOs

Info

ID:	22477
PubChem CID:	597356
Reduced:	N2O3S3C12H12 (1)
Stoich.:	A2B3C3D12E12 (1)
Weight, g/mol:	328.001006
ΔH_f, kcal/mol:	-81.94
Dipole, Da:	2.67
IP(EA), eV:	-9.29(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-(1,3-benzothiazol-2-yldisulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CSSC1=NC2=CC=CC=C2S1)C(=O)O

DOS

IR

Vibrations