Geometry & MOs

Info

ID:

327305

PubChem CID:

126689477

Reduced:

BrN3O5H32C33 (1)

Stoich.:

AB3C5D32E33 (1)

Weight, g/mol:

615.166885

ΔHf, kcal/mol:

-79.72

Dipole, Da:

6.27

IP(EA), eV:

 -8.82(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 3-[[2-(3-azidopropyl)-5-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]sulfanylmethyl]-2-methyl-1,3-dioxan-5-yl]methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1Br)CC(=O)N(C2=CC=CC=C2N3CCCCC3)NC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations