Geometry & MOs

Info

ID:	232858
PubChem CID:	87577261
Reduced:	OCl2N6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	218.06128
ΔH_f, kcal/mol:	27.94
Dipole, Da:	5.91
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)ethanethioate

Drug info:

PubChemData

Smile

CN1C=CC2=C(C(=CN=C21)CN3CC(C4=C3N=C(N=C4Cl)N)CO)Cl

DOS

IR

Vibrations