Geometry & MOs

Info

ID:	394782
PubChem CID:	135023805
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	307.073712
ΔH_f, kcal/mol:	-216.99
Dipole, Da:	5.96
IP(EA), eV:	-10.43(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(Z)-6-chloro-4-ethoxycarbonyl-3-methylidene-5-oxo-1-phenylhex-1-en-1-olate

Drug info:

PubChemData

Smile

CC12[C@@H](CC(C3=C1CCC3=O)OC2=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations