Geometry & MOs

Info

ID:	203935
PubChem CID:	79891354
Reduced:	NOF2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	275.042771
ΔH_f, kcal/mol:	-112.75
Dipole, Da:	0.65
IP(EA), eV:	-9.03(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]-2,6-difluorophenol

Drug info:

PubChemData

Smile

CCNCC1=CC(=C(C(=C1)F)OC)F

DOS

IR

Vibrations