Geometry & MOs

Info

ID:	284939
PubChem CID:	104084576
Reduced:	ClSN5C9H12 (1)
Stoich.:	ABC5D9E12 (1)
Weight, g/mol:	343.94374
ΔH_f, kcal/mol:	67.52
Dipole, Da:	1.14
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[[4-(chloromethyl)phenyl]sulfanylmethyl]-3-fluorobenzene

Drug info:

PubChemData

Smile

CN1C(=CN=C1SCC2=NC=NN2C)CCl

DOS

IR

Vibrations