Geometry & MOs

Info

ID:	437320
PubChem CID:	135223437
Reduced:	SO3N5H19C22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	6.96
Dipole, Da:	12.63
IP(EA), eV:	-9.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-4-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CNN=C4

DOS

IR

Vibrations