Geometry & MOs

Info

ID:	401892
PubChem CID:	135053232
Reduced:	SO2H10C17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	263.079373
ΔH_f, kcal/mol:	0.49
Dipole, Da:	3.63
IP(EA), eV:	-8.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-2-nitrobenzoyl)pentane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C(=O)C=C(O4)S

DOS

IR

Vibrations