Geometry & MOs

Info

ID:	373800
PubChem CID:	131320157
Reduced:	SCl2F2H6C10 (1)
Stoich.:	AB2C2D6E10 (1)
Weight, g/mol:	303.98657
ΔH_f, kcal/mol:	-80.39
Dipole, Da:	1.94
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(bromomethyl)-5-(3-chloropropyl)benzoate

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C=C(S2)Cl)C(F)F)CCl

DOS

IR

Vibrations