Geometry & MOs

Info

ID:

442842

PubChem CID:

135256526

Reduced:

BrClFN4O4C33H35 (1)

Stoich.:

ABCD4E4F33G35 (1)

Weight, g/mol:

393.98481

ΔHf, kcal/mol:

-176.65

Dipole, Da:

6.09

IP(EA), eV:

 -8.9(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NE,S)-N-[(8-iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)methylidene]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC3=C(CCCC3)C(=C2)C4=C(C=C(C=C4)NC(=O)OC)NC1=O)NCCC(=O)C5=C(C=CC(=C5F)Cl)Br

DOS

IR

Vibrations