Geometry & MOs

Info

ID:	412684
PubChem CID:	135085598
Reduced:	ClHgC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	219.071785
ΔH_f, kcal/mol:	66.09
Dipole, Da:	7.65
IP(EA), eV:	-7.98(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl 2-cyano-3-phenylpropanethioate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[Hg]Cl

DOS

IR

Vibrations