Geometry & MOs

Info

ID:	338396
PubChem CID:	127259088
Reduced:	O5H10C13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	-149.11
Dipole, Da:	7.34
IP(EA), eV:	-9.6(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-sulfanylidene-3H-phthalazin-1-yl)oxy]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCOC1=CC(=O)C(=O)C2=CC=CC=C21

DOS

IR

Vibrations