Geometry & MOs

Info

ID:	300206
PubChem CID:	121269853
Reduced:	SN2O4F5H9C17 (1)
Stoich.:	AB2C4D5E9F17 (1)
Weight, g/mol:	440.010835
ΔH_f, kcal/mol:	-302.32
Dipole, Da:	9.71
IP(EA), eV:	-9.53(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-4-(3-chloro-5-fluorophenoxy)-3-(hydroxymethyl)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2C(=O)C1(F)F)S(=O)(=O)C(F)(F)F)OC3=CC=CC4=C3C=NN4

DOS

IR

Vibrations