Geometry & MOs

Info

ID:	168197
PubChem CID:	74936541
Reduced:	O2C9H14 (3)
Stoich.:	A2B9C14 (3)
Weight, g/mol:	378.111208
ΔH_f, kcal/mol:	-289.79
Dipole, Da:	3.55
IP(EA), eV:	-9.75(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[1-(4-methylphenyl)sulfanyl-3-phenoxyprop-1-en-2-yl]sulfanylbenzene

Drug info:

PubChemData

Smile

CCOC1C2(CCCC3(C2C(O1)CC(C3CCC(=CC(C4C(=CC(=O)O4)C)O)C)(C)O)C)C

DOS

IR

Vibrations