Geometry & MOs

Info

ID:	379506
PubChem CID:	134437837
Reduced:	ClSF3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	498.141834
ΔH_f, kcal/mol:	-158.01
Dipole, Da:	3.24
IP(EA), eV:	-9.33(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenyl]phenyl]-2-methyl-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C(F)(F)F)Cl)S

DOS

IR

Vibrations