Geometry & MOs

Info

ID:	169100
PubChem CID:	75063513
Reduced:	ClSO3N5C12H18 (1)
Stoich.:	ABC3D5E12F18 (1)
Weight, g/mol:	311.105211
ΔH_f, kcal/mol:	-125.21
Dipole, Da:	8.72
IP(EA), eV:	-9.93(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(=O)N1)CSC2=NN=C(O2)C3CCC[NH2+]3.[Cl-]

DOS

IR

Vibrations