Geometry & MOs

Info

ID:	147470
PubChem CID:	53787126
Reduced:	NSO4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	329.072179
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	6.28
IP(EA), eV:	-9.42(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dibenzoylamino)-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N([C@@H](CS)C(=O)O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations