Geometry & MOs

Info

ID:	234430
PubChem CID:	92298421
Reduced:	IO3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	351.112701
ΔH_f, kcal/mol:	-116.69
Dipole, Da:	3.1
IP(EA), eV:	-10.42(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4R,5R,6R)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C(=O)O1)O)I

DOS

IR

Vibrations