Geometry & MOs

Info

ID:	9596
PubChem CID:	91286
Reduced:	NSO3C10H10 (2)
Stoich.:	ABC3D10E10 (2)
Weight, g/mol:	448.076279
ΔH_f, kcal/mol:	-210.25
Dipole, Da:	8.48
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamido-3-[(2-benzamido-2-carboxyethyl)disulfanyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(CSSCC(C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations