Geometry & MOs

Info

ID:	132411
PubChem CID:	51359649
Reduced:	NS2O3C8H15 (1)
Stoich.:	AB2C3D8E15 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-130.46
Dipole, Da:	2.69
IP(EA), eV:	-9.07(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-benzyl-9-pyrrolidin-1-yl-3,4-dihydro-2H-5,1lambda6,2-benzoxathiazepine 1,1-dioxide

Drug info:

PubChemData

Smile

CC(=O)CCN1CCSCCS1(=O)=O

DOS

IR

Vibrations