Geometry & MOs

Info

ID:

158894

PubChem CID:

57244154

Reduced:

NSO2H6C9 (1)

Stoich.:

ABC2D6E9 (1)

Weight, g/mol:

187.075499

ΔHf, kcal/mol:

0.8

Dipole, Da:

5.66

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.889717

Charge, e:

 0

Chem-info

IUPAC name:

3-deuterio-2-fluoro-1-methoxy-4-(methoxymethoxy)benzene

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)S(=O)[O-]

DOS

IR

Vibrations