Geometry & MOs

Info

ID:	361828
PubChem CID:	127304734
Reduced:	BrSN3O3C12H16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	389.104542
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	5.36
IP(EA), eV:	-9.85(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]-4H-pyrazino[1,2-a]indole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=NNC(=C2Br)C3CC3

DOS

IR

Vibrations