Geometry & MOs

Info

ID:	296698
PubChem CID:	117589016
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	356.132527
ΔH_f, kcal/mol:	-130.73
Dipole, Da:	5.66
IP(EA), eV:	-9.32(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl-(1,1-dioxothiolan-3-yl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)azanium;chloride

Drug info:

PubChemData

Smile

CN(C1CS(=O)(=O)CC1O)C2=NCCCCC2

DOS

IR

Vibrations