Geometry & MOs

Info

ID:	12204
PubChem CID:	132295
Reduced:	SN2O4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	332.083078
ΔH_f, kcal/mol:	-82.3
Dipole, Da:	5.47
IP(EA), eV:	-9.18(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-6-(2-hydroxyethylidene)-4-methyl-7-oxo-3-(pyridin-2-ylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2C(=CCO)C(=O)N2C(=C1SCC3=CC=CC=N3)C(=O)O

DOS

IR

Vibrations