Geometry & MOs

Info

ID:	278232
PubChem CID:	103834232
Reduced:	BrNS2O3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	299.082744
ΔH_f, kcal/mol:	-77.91
Dipole, Da:	5.23
IP(EA), eV:	-9.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations