Geometry & MOs

Info

ID:	226303
PubChem CID:	87350389
Reduced:	SF3N3O3C24H32 (1)
Stoich.:	AB3C3D3E24F32 (1)
Weight, g/mol:	217.937737
ΔH_f, kcal/mol:	-255.36
Dipole, Da:	7.41
IP(EA), eV:	-8.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(sulfanyl)-2-sulfopropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN(C(=NC(=O)C2=C(C=CC(=C2)C(F)(F)F)ONC(C)(C)C)S1)C[C@H]3CCCO3

DOS

IR

Vibrations