Geometry & MOs

Info

ID:	268790
PubChem CID:	103600934
Reduced:	BrSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	252.118401
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	2.12
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-methylpropylsulfanyl)-2-phenylacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)SC2=CC=C(C=C2)Br

DOS

IR

Vibrations