Geometry & MOs

Info

ID:	234065
PubChem CID:	92297645
Reduced:	O5H14C18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	311.985922
ΔH_f, kcal/mol:	-139.27
Dipole, Da:	5.85
IP(EA), eV:	-9.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(5-chloro-8-hydroxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations