Geometry & MOs

Info

ID:	1758
PubChem CID:	5002
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-10.84
Dipole, Da:	3.4
IP(EA), eV:	-8.61(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol

Drug info:

PubChemData

Smile

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

DOS

IR

Vibrations