Geometry & MOs

Info

ID:	146685
PubChem CID:	53730769
Reduced:	BC26H41 (1)
Stoich.:	AB26C41 (1)
Weight, g/mol:	303.067762
ΔH_f, kcal/mol:	-1.29
Dipole, Da:	0.76
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[[[amino(phenyl)methylidene]amino]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

B(C=CCCCC)(C1=CC2CC(C1C)C2(C)C)C3=CC4CC(C3C)C4(C)C

DOS

IR

Vibrations