Geometry & MOs

Info

ID:

161579

PubChem CID:

57392039

Reduced:

SF2N3O4H19C21 (1)

Stoich.:

AB2C3D4E19F21 (1)

Weight, g/mol:

637.089011

ΔHf, kcal/mol:

-194.83

Dipole, Da:

7.08

IP(EA), eV:

 -9.14(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[5-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]carbonyl-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C1CCS(=O)(=O)N(C1)C2=C3C=CC=NC3=C(C(=C2)C(=O)NCC4=CC(=CC(=C4)F)F)O

DOS

IR

Vibrations