Geometry & MOs

Info

ID:	394046
PubChem CID:	135022212
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	304.149701
ΔH_f, kcal/mol:	-155.77
Dipole, Da:	2.85
IP(EA), eV:	-9.44(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OCCO1)C2=CC=C(O2)C(C#C)OC(=O)C(C)(C)C

DOS

IR

Vibrations