Geometry & MOs

Info

ID:	50145
PubChem CID:	12012652
Reduced:	S2O3N4H12C19 (1)
Stoich.:	A2B3C4D12E19 (1)
Weight, g/mol:	276.11503
ΔH_f, kcal/mol:	40.85
Dipole, Da:	4.23
IP(EA), eV:	-8.86(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-3-phenylcyclopent-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)N(N=C3C4=CC=CS4)C5=NC(=O)CS5

DOS

IR

Vibrations