Geometry & MOs

Info

ID:	28286
PubChem CID:	826802
Reduced:	ClSO2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	340.90769
ΔH_f, kcal/mol:	-39.52
Dipole, Da:	5.64
IP(EA), eV:	-8.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(4-chlorophenyl)sulfanyl-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1[C@H](C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C31)Cl

DOS

IR

Vibrations