Geometry & MOs

Info

ID:	146737
PubChem CID:	53740611
Reduced:	NO6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	349.07482
ΔH_f, kcal/mol:	-195.05
Dipole, Da:	3.95
IP(EA), eV:	-8.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-phenyl-2-[3-(trifluoromethylsulfanyl)phenyl]cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CCC=CC(C1=C(N2C(=C(C(=C2O)O)O)C=C1)O)C(=O)O

DOS

IR

Vibrations