Geometry & MOs

Info

ID:	192759
PubChem CID:	78308790
Reduced:	S2N4O5C24H26 (1)
Stoich.:	A2B4C5D24E26 (1)
Weight, g/mol:	496.094037
ΔH_f, kcal/mol:	-109.53
Dipole, Da:	2.92
IP(EA), eV:	-9.58(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3C(CC2NC(=O)C1CN(CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC6=NSN=C65)OCO3

DOS

IR

Vibrations