Geometry & MOs

Info

ID:	132413
PubChem CID:	51359753
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-125.54
Dipole, Da:	5.53
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-benzyl-N-butyl-1,1-dioxo-3,4-dihydro-2H-5,1lambda6,2-benzoxathiazepin-9-amine

Drug info:

PubChemData

Smile

C1[C@@H](NS(=O)(=O)C2=C(C=CC=C2O1)NCCO)CC3=CC=CC=C3

DOS

IR

Vibrations