Geometry & MOs

Info

ID:	148454
PubChem CID:	53788116
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	283.099063
ΔH_f, kcal/mol:	-109.7
Dipole, Da:	8.61
IP(EA), eV:	-9.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[4-(1-aminoethylideneamino)butyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C3=C(O2)C(=CC=C3)C(=O)O

DOS

IR

Vibrations