Geometry & MOs

Info

ID:	278645
PubChem CID:	103836790
Reduced:	SF2N2O6C10H12 (1)
Stoich.:	AB2C2D6E10F12 (1)
Weight, g/mol:	323.0639
ΔH_f, kcal/mol:	-247.6
Dipole, Da:	7.19
IP(EA), eV:	-10.34(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NCC(C(F)F)O)[N+](=O)[O-]

DOS

IR

Vibrations