Geometry & MOs

Info

ID:	179512
PubChem CID:	76491727
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	2.45
IP(EA), eV:	-8.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,3-dimethylbut-1-enylidene)-4,4-dioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptan-7-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C(=CC3=NC4CCCCC4=N3)C(=O)N2)CCC(=O)O

DOS

IR

Vibrations