Geometry & MOs

Info

ID:	195923
PubChem CID:	78749105
Reduced:	ClO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	367.054815
ΔH_f, kcal/mol:	-115.54
Dipole, Da:	1.04
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(1,1-dioxothiolan-3-yl)sulfanylbenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C=CC(=O)OCC2=CC=CC=C2Cl)OC

DOS

IR

Vibrations