Geometry & MOs

Info

ID:	209947
PubChem CID:	80742576
Reduced:	ClN2S2O4C11H15 (1)
Stoich.:	AB2C2D4E11F15 (1)
Weight, g/mol:	330.118418
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	4.23
IP(EA), eV:	-9.83(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylthiolan-2-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide

Drug info:

PubChemData

Smile

CCN(C1CCCC1)S(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations