Geometry & MOs

Info

ID:	190237
PubChem CID:	77974684
Reduced:	O6N7C23H29 (1)
Stoich.:	A6B7C23D29 (1)
Weight, g/mol:	227.025229
ΔH_f, kcal/mol:	-121.08
Dipole, Da:	7.93
IP(EA), eV:	-9.51(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxopropyl 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)N

DOS

IR

Vibrations