Geometry & MOs

Info

ID:	132412
PubChem CID:	51359752
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-73.31
Dipole, Da:	4.09
IP(EA), eV:	-8.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S)-3-benzyl-1,1-dioxo-3,4-dihydro-2H-5,1lambda6,2-benzoxathiazepin-9-yl]amino]ethanol

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C3C(=CC=C2)OC[C@@H](NS3(=O)=O)CC4=CC=CC=C4

DOS

IR

Vibrations