Geometry & MOs

Info

ID:	192763
PubChem CID:	78308794
Reduced:	SN2O8H22C25 (1)
Stoich.:	AB2C8D22E25 (1)
Weight, g/mol:	510.109687
ΔH_f, kcal/mol:	-189.64
Dipole, Da:	5.58
IP(EA), eV:	-9.27(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[furan-2-ylmethyl-[(6-oxo-7H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2C=C3C=C4C(=CC3=NC2=O)OCO4)CC5=CC=CO5

DOS

IR

Vibrations