Geometry & MOs

Info

ID:

327306

PubChem CID:

126689478

Reduced:

S2N5O10C24H33 (1)

Stoich.:

A2B5C10D24E33 (1)

Weight, g/mol:

647.156714

ΔHf, kcal/mol:

-297.45

Dipole, Da:

4.96

IP(EA), eV:

 -9.0(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-(3-azidopropyl)-5-(2-carboxyethylsulfinylmethyl)-2-methyl-1,3-dioxan-5-yl]methylsulfinyl]-2,2-bis(2,5-dioxopyrrolidin-1-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(CSCCC(=O)ON2C(=O)CCC2=O)CSCCC(=O)ON3C(=O)CCC3=O)CCCN=[N+]=[N-]

DOS

IR

Vibrations