Geometry & MOs

Info

ID:	391634
PubChem CID:	135007408
Reduced:	O2C11H11 (2)
Stoich.:	A2B11C11 (2)
Weight, g/mol:	390.222866
ΔH_f, kcal/mol:	-107.63
Dipole, Da:	4.66
IP(EA), eV:	-8.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,4R)-4-[(4-methoxyphenyl)methylsulfanyl]trideca-2,12-dienoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC[C@@H]([C@H]1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations