Geometry & MOs

Info

ID:	159396
PubChem CID:	57269811
Reduced:	SBr2C3H4 (1)
Stoich.:	AB2C3D4 (1)
Weight, g/mol:	550.438596
ΔH_f, kcal/mol:	16.27
Dipole, Da:	1.11
IP(EA), eV:	-9.32(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butylphenyl) 4-(1-octadecoxyethyl)benzoate

Drug info:

PubChemData

Smile

C(C(=CBr)Br)S

DOS

IR

Vibrations