Geometry & MOs

Info

ID:	208330
PubChem CID:	80520444
Reduced:	BrSN2O3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-124.2
Dipole, Da:	5.07
IP(EA), eV:	-9.37(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-oxa-1,5,8-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-9-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)NC(=O)CC2CS(=O)(=O)CCN2

DOS

IR

Vibrations