Geometry & MOs

Info

ID:	123524
PubChem CID:	50852427
Reduced:	NOH12C13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	280.012492
ΔH_f, kcal/mol:	7.1
Dipole, Da:	3.68
IP(EA), eV:	-8.82(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methylsulfanyl]benzoyl chloride

Drug info:

PubChemData

Smile

CN(CCN1C(=O)C2=CC=CC=C2C1=O)C3C4=CC=CC=C4CCC5=CC=CC=C35

DOS

IR

Vibrations