Geometry & MOs

Info

ID:	361785
PubChem CID:	127304632
Reduced:	ClSN2O4C15H15 (1)
Stoich.:	ABC2D4E15F15 (1)
Weight, g/mol:	322.098728
ΔH_f, kcal/mol:	-86.32
Dipole, Da:	5.73
IP(EA), eV:	-9.92(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,1-dioxo-1,4-thiazepane-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=NOC(=C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations