Geometry & MOs

Info

ID:	310126
PubChem CID:	126574972
Reduced:	SF3N4O8H39C41 (1)
Stoich.:	AB3C4D8E39F41 (1)
Weight, g/mol:	260.030729
ΔH_f, kcal/mol:	-255.5
Dipole, Da:	16.68
IP(EA), eV:	-6.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-fluorophenyl)-2-methylidene-1,3-benzoxathiol-5-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)NC(=O)CCC(=O)OC4=C5C6=C(C[C@@H]7[C@]8([C@]6(CCN7CC9CC9)C(O5)C(=O)CC8)O)C=C4)C(F)(F)F

DOS

IR

Vibrations