Geometry & MOs

Info

ID:

315025

PubChem CID:

126624204

Reduced:

FN2O6C21H23 (1)

Stoich.:

AB2C6D21E23 (1)

Weight, g/mol:

541.188272

ΔHf, kcal/mol:

-217.13

Dipole, Da:

8.02

IP(EA), eV:

 -9.06(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[3-[[2-[[(1R,2Z)-2-ethylidene-1-(5-methylfuran-2-yl)-5-sulfanylpentyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzoyl]-methylamino]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C(=O)C1=O)NC2=CC=CC(=C2F)C(=O)N3CCCC3C(=O)OC(C)C

DOS

IR

Vibrations