Geometry & MOs

Info

ID:	7402
PubChem CID:	72445
Reduced:	N2S2O6C11H14 (1)
Stoich.:	A2B2C6D11E14 (1)
Weight, g/mol:	334.029329
ΔH_f, kcal/mol:	-221.57
Dipole, Da:	5.21
IP(EA), eV:	-9.25(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-3-(2-carbamoyloxyethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)SCCOC(=O)N)C(=O)O)O

DOS

IR

Vibrations