Geometry & MOs

Info

ID:	192087
PubChem CID:	78226223
Reduced:	ClSN2O3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	514.140987
ΔH_f, kcal/mol:	-38.07
Dipole, Da:	4.2
IP(EA), eV:	-8.56(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(7-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CSC2=C(C3=CC(C=CC3=NC2=O)Cl)C4=CC=CC=C4

DOS

IR

Vibrations