Geometry & MOs

Info

ID:	130816
PubChem CID:	51113315
Reduced:	F2O3N4H12C15 (1)
Stoich.:	A2B3C4D12E15 (1)
Weight, g/mol:	278.053214
ΔH_f, kcal/mol:	-124.66
Dipole, Da:	1.1
IP(EA), eV:	-9.91(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[(4-methylphenyl)methylsulfinylmethyl]benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NNC(=O)NNC(=O)C2=CC=C(C=C2)F)F

DOS

IR

Vibrations