Geometry & MOs

Info

ID:	197360
PubChem CID:	78955998
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	12.76
Dipole, Da:	6.89
IP(EA), eV:	-8.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methylphenyl)ethylamino]-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC2=NC=C(C=C2)C(=O)N(C)C

DOS

IR

Vibrations