Geometry & MOs

Info

ID:	394056
PubChem CID:	135022255
Reduced:	ClO2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	304.149701
ΔH_f, kcal/mol:	-3.96
Dipole, Da:	2.18
IP(EA), eV:	-9.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z)-3-methylsulfanyl-1-phenylhexa-1,5-dien-2-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C#CC1=CC=CC=C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations