Geometry & MOs

Info

ID:	176633
PubChem CID:	76075912
Reduced:	ON7C27H31 (1)
Stoich.:	AB7C27D31 (1)
Weight, g/mol:	211.030314
ΔH_f, kcal/mol:	104.42
Dipole, Da:	10.12
IP(EA), eV:	-8.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=C(N=CC=C3)C4NNNN4)C5=CC=CC=C5C

DOS

IR

Vibrations