Geometry & MOs

Info

ID:	151055
PubChem CID:	53790752
Reduced:	O2S3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	329.089937
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	7.46
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-dibenzofuran-2-yloxypentanedioic acid

Drug info:

PubChemData

Smile

CC(C)(CCS)S(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2

DOS

IR

Vibrations