Geometry & MOs

Info

ID:

394246

PubChem CID:

135022628

Reduced:

SN6O8C53H66 (1)

Stoich.:

AB6C8D53E66 (1)

Weight, g/mol:

258.089209

ΔHf, kcal/mol:

-312.6

Dipole, Da:

4.54

IP(EA), eV:

 -8.54(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enylfuran-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=CC=C(C=C2)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C

DOS

IR

Vibrations