Geometry & MOs

Info

ID:	81314
PubChem CID:	49854592
Reduced:	SF2N3O4H23C24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	526.089324
ΔH_f, kcal/mol:	-170.36
Dipole, Da:	4.21
IP(EA), eV:	-8.87(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations