Geometry & MOs

Info

ID:	217236
PubChem CID:	85087480
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	345.024184
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	4.65
IP(EA), eV:	-10.38(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxo-6-(3-thia-6,7-diazatricyclo[6.3.0.02,6]undeca-1,4,7-trien-4-ylmethylidene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)C1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations