Geometry & MOs

Info

ID:	300210
PubChem CID:	121269857
Reduced:	ClNSF3O4H5C15 (1)
Stoich.:	ABCD3E4F5G15 (1)
Weight, g/mol:	416.045391
ΔH_f, kcal/mol:	-209.52
Dipole, Da:	4.21
IP(EA), eV:	-9.77(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S,3R)-3-amino-1-hydroxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy]-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OC2=C(C3=C(C(=C2O)O)SC(C3=O)(F)F)Cl)F)C#N

DOS

IR

Vibrations