Geometry & MOs

Info

ID:	410216
PubChem CID:	135083007
Reduced:	PC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	426.165351
ΔH_f, kcal/mol:	-25.94
Dipole, Da:	1.7
IP(EA), eV:	-8.5(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (9E,12E,14E)-15-phenyl-4-phenylsulfanylpentadeca-9,12,14-trien-5,7-diynoate

Drug info:

PubChemData

Smile

CP1([C@@H]2CC[C@H]1C3C2CC3)(C)C

DOS

IR

Vibrations