Geometry & MOs

Info

ID:	52640
PubChem CID:	12015594
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	204.060886
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	6.15
IP(EA), eV:	-9.52(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-phenylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CN1C(C(C(=O)C(C1C2=CC=CC=N2)C(=O)OC)C(=O)OC)C3=CC=CC=N3

DOS

IR

Vibrations