Geometry & MOs

Info

ID:	278659
PubChem CID:	103836849
Reduced:	BrNF2S2O3C7H8 (1)
Stoich.:	ABC2D2E3F7G8 (1)
Weight, g/mol:	309.04825
ΔH_f, kcal/mol:	-184.85
Dipole, Da:	3.66
IP(EA), eV:	-9.78(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)S(=O)(=O)NCC(C(F)F)O

DOS

IR

Vibrations