Geometry & MOs

Info

ID:	272315
PubChem CID:	103739562
Reduced:	F3N3C13H18 (1)
Stoich.:	A3B3C13D18 (1)
Weight, g/mol:	303.98811
ΔH_f, kcal/mol:	-121.23
Dipole, Da:	6.23
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromopyridin-3-yl)-1,4-thiazepane 1,1-dioxide

Drug info:

PubChemData

Smile

CCN(CCNC1=NC=C(C=C1)C(F)(F)F)C2CC2

DOS

IR

Vibrations