Geometry & MOs

Info

ID:	338417
PubChem CID:	127259109
Reduced:	N3O3H13C17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	265.968354
ΔH_f, kcal/mol:	8.23
Dipole, Da:	7.65
IP(EA), eV:	-9.03(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dichloropyrimidin-2-yl)sulfanylethyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(OC(=N2)N/N=C/C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations