Geometry & MOs

Info

ID:	169099
PubChem CID:	75063512
Reduced:	ClSO2N5C14H16 (1)
Stoich.:	ABC2D5E14F16 (1)
Weight, g/mol:	347.081888
ΔH_f, kcal/mol:	31.16
Dipole, Da:	17.36
IP(EA), eV:	-7.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-[(5-pyrrolidin-1-ium-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-diazinane-2,4-dione;chloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C3=NN=C(O3)SCC(=O)N)[NH3+].[Cl-]

DOS

IR

Vibrations