Geometry & MOs

Info

ID:

406461

PubChem CID:

135077673

Reduced:

NS2O6C30H31 (1)

Stoich.:

AB2C6D30E31 (1)

Weight, g/mol:

510.05597

ΔHf, kcal/mol:

-149.85

Dipole, Da:

4.47

IP(EA), eV:

 -8.88(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8-hydroxy-2,3-dimethoxy-2,3-dimethyl-7-phenylselanyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl)methyl 2-chloroacetate

Drug info:

PubChemData

Smile

C1CSC(=N1)SC2C(C(C(C(O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations