Geometry & MOs

Info

ID:

234333

PubChem CID:

92298198

Reduced:

SN2O9H26C29 (1)

Stoich.:

AB2C9D26E29 (1)

Weight, g/mol:

537.0842

ΔHf, kcal/mol:

-213.44

Dipole, Da:

11.07

IP(EA), eV:

 -8.54(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(2R)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2[C@@H](C(=C(C2=O)O)C(=O)C3=CC4=C(O3)C(=CC=C4)OC)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C

DOS

IR

Vibrations