Geometry & MOs

Info

ID:	281462
PubChem CID:	103913909
Reduced:	SN2O2C13H26 (1)
Stoich.:	AB2C2D13E26 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-85.12
Dipole, Da:	3.45
IP(EA), eV:	-8.65(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(1,1-dioxothian-3-yl)amino]methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CC(CNC1CCCC1S(=O)(=O)C)N(C)C2CC2

DOS

IR

Vibrations