Geometry & MOs

Info

ID:	159313
PubChem CID:	57269557
Reduced:	ON3H9C12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	506.137239
ΔH_f, kcal/mol:	44.96
Dipole, Da:	3.94
IP(EA), eV:	-8.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-carbamimidoylphenyl)-5-(2-hydroxyethylidene)-N-(12-sulfamoyl-3-azatricyclo[6.3.1.02,7]dodeca-1(11),2(7),3,5,8(12),9-hexaen-5-yl)-1,2-oxazolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=CN=CN=C3)NC(=C2)O

DOS

IR

Vibrations