Geometry & MOs

Info

ID:

149036

PubChem CID:

53788707

Reduced:

ClFN3O3H13C18 (1)

Stoich.:

ABC3D3E13F18 (1)

Weight, g/mol:

662.113653

ΔHf, kcal/mol:

-16.25

Dipole, Da:

6.06

IP(EA), eV:

 -9.73(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-[(4R,5R)-2,2-dimethyl-5-[(1R)-1-methylsulfonyloxy-2-naphthalen-2-ylsulfanylethyl]-1,3-dioxolan-4-yl]-2-naphthalen-2-ylsulfanylethyl] methanesulfonate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C3=CC=CC=C3N=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations