Geometry & MOs

Info

ID:	276895
PubChem CID:	103825624
Reduced:	NCl2S2O3H11C13 (1)
Stoich.:	AB2C2D3E11F13 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-68.58
Dipole, Da:	4.99
IP(EA), eV:	-9.57(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]propanoate

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C2=CC=CC=C21)NS(=O)(=O)C3=C(SC(=C3)Cl)Cl)O

DOS

IR

Vibrations