Geometry & MOs

Info

ID:	402347
PubChem CID:	135055619
Reduced:	O2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-108.3
Dipole, Da:	1.95
IP(EA), eV:	-9.37(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-benzoylhydrazinyl)-2-(4-oxothian-3-yl)acetate

Drug info:

PubChemData

Smile

C1CC(=O)C(=C([C@H]1O)COCC2=CC=CC=C2)COCC3=CC=CC=C3

DOS

IR

Vibrations