Geometry & MOs

Info

ID:

297532

PubChem CID:

117620025

Reduced:

S2N4O21C37H56 (1)

Stoich.:

A2B4C21D37E56 (1)

Weight, g/mol:

307.126717

ΔHf, kcal/mol:

-899.48

Dipole, Da:

9.4

IP(EA), eV:

 -9.24(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[carboxymethyl-[2-(1-formyloxyethoxy)ethyl]amino]ethoxy]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1C([C@H]([C@@H](C(O1)CO)O)O[C@H]2C([C@H]([C@@H](C(O2)C(=O)O)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O[C@H]4C([C@H]([C@@H](C(O4)C(=O)NCCSSC5=CC=CC=N5)OC)O)O)NC(=O)C)O)O)NC(=O)C

DOS

IR

Vibrations