Geometry & MOs

Info

ID:	392492
PubChem CID:	135016905
Reduced:	SO2C8H14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	384.193674
ΔH_f, kcal/mol:	-102.57
Dipole, Da:	3.37
IP(EA), eV:	-8.56(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhex-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1CSCCC12OCCO2

DOS

IR

Vibrations