Geometry & MOs

Info

ID:	403060
PubChem CID:	135058562
Reduced:	OC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	328.113316
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	6.71
IP(EA), eV:	-9.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCC#CC(=O)[C@@]1(CC2(C[C@@H]1C)C=CC(=O)C=C2)CCCC

DOS

IR

Vibrations