Geometry & MOs

Info

ID:	328624
PubChem CID:	126726063
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	281.035794
ΔH_f, kcal/mol:	4.92
Dipole, Da:	0.49
IP(EA), eV:	-8.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-benzoylsulfanyl-2-oxopropanoyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C2=CSC(=N2)N3CCOCC3

DOS

IR

Vibrations