Geometry & MOs

Info

ID:	278641
PubChem CID:	103836778
Reduced:	NSF2O5C12H15 (1)
Stoich.:	ABC2D5E12F15 (1)
Weight, g/mol:	323.0639
ΔH_f, kcal/mol:	-300.98
Dipole, Da:	3.63
IP(EA), eV:	-10.34(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCC(C(F)F)O

DOS

IR

Vibrations