Geometry & MOs

Info

ID:	268789
PubChem CID:	103600916
Reduced:	NCl2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	349.99761
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	4.37
IP(EA), eV:	-8.92(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-bromophenyl)sulfanyl-2-phenylacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)NC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations