Geometry & MOs

Info

ID:	361769
PubChem CID:	127304616
Reduced:	SF3N3O4H14C15 (1)
Stoich.:	AB3C3D4E14F15 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-222.89
Dipole, Da:	7.12
IP(EA), eV:	-10.05(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)C3=NOC(=N3)C(F)(F)F

DOS

IR

Vibrations