Geometry & MOs

Info

ID:	376142
PubChem CID:	134222145
Reduced:	Cl2N3O3H21C24 (1)
Stoich.:	A2B3C3D21E24 (1)
Weight, g/mol:	380.119956
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	8.53
IP(EA), eV:	-9.5(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)/C=C/C(CO)C3=CC(=C(C(=C3)Cl)Cl)N4C=CC(=NC4=O)N)C(=O)C1

DOS

IR

Vibrations