Geometry & MOs

Info

ID:	149090
PubChem CID:	53788761
Reduced:	O3C16H25 (2)
Stoich.:	A3B16C25 (2)
Weight, g/mol:	326.134051
ΔH_f, kcal/mol:	-318.75
Dipole, Da:	3.56
IP(EA), eV:	-9.08(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-benzylsulfanyl-3-methylbut-2-enoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCCC(=CCC1=C(C=C(C=C1OC(=O)C)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations