Geometry & MOs

Info

ID:

326122

PubChem CID:

126686600

Reduced:

SN3O5C14H23 (1)

Stoich.:

AB3C5D14E23 (1)

Weight, g/mol:

386.114772

ΔHf, kcal/mol:

-212.54

Dipole, Da:

7.53

IP(EA), eV:

 -9.4(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3aR,5R,6S,7R,7aR)-5-(acetyloxymethyl)-2-(azetidin-1-yl)-7-(carboxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-yl]acetic acid

Drug info:

PubChemData

Smile

CN(CC[C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N3CCCC3)O)O)C(=O)O

DOS

IR

Vibrations