Geometry & MOs

Info

ID:	268549
PubChem CID:	103599881
Reduced:	ClO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	325.95316
ΔH_f, kcal/mol:	-48.17
Dipole, Da:	3.55
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OCC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations