Geometry & MOs

Info

ID:	300226
PubChem CID:	121269882
Reduced:	FSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	512.95048
ΔH_f, kcal/mol:	-209.25
Dipole, Da:	3.23
IP(EA), eV:	-10.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S)-7-(3-bromo-5-fluorophenoxy)-3-hydroxy-4-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-yl]carbamic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C2[C@H](CC(C2=C(C=C1)F)CO)O

DOS

IR

Vibrations