Geometry & MOs

Info

ID:	361794
PubChem CID:	127304641
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	323.073991
ΔH_f, kcal/mol:	-128.87
Dipole, Da:	5.97
IP(EA), eV:	-9.01(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(7-fluoroquinoxalin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CCC(=O)N2CCCS(=O)(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations