Geometry & MOs

Info

ID:	138586
PubChem CID:	52388604
Reduced:	SN6C17H27 (1)
Stoich.:	AB6C17D27 (1)
Weight, g/mol:	339.150429
ΔH_f, kcal/mol:	82.03
Dipole, Da:	13.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.007336
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]ethenesulfonamide

Drug info:

PubChemData

Smile

CCCSC1=NC=C(C=N1)C[NH+]2CCC(CC2)CC3=NN=CN3C

DOS

IR

Vibrations