Geometry & MOs

Info

ID:	79409
PubChem CID:	49748497
Reduced:	FN2S2O5C24H25 (1)
Stoich.:	AB2C2D5E24F25 (1)
Weight, g/mol:	510.038928
ΔH_f, kcal/mol:	-185.99
Dipole, Da:	5.66
IP(EA), eV:	-8.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCS(=O)(=O)NC2=CC3=C(CCCN3S(=O)(=O)C4=CC=C(C=C4)F)C=C2

DOS

IR

Vibrations