Geometry & MOs

Info

ID:	221501
PubChem CID:	85273788
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	311.039834
ΔH_f, kcal/mol:	-13.44
Dipole, Da:	7.45
IP(EA), eV:	-9.12(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-7-oxo-4-(1H-pyrazol-4-ylmethylsulfanyl)-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1C)C=CC2=CC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations