Geometry & MOs

Info

ID:	391888
PubChem CID:	135010620
Reduced:	O2H10C11 (1)
Stoich.:	A2B10C11 (1)
Weight, g/mol:	310.12388
ΔH_f, kcal/mol:	-63.22
Dipole, Da:	5.12
IP(EA), eV:	-9.54(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-5,7-dimethoxy-3-phenylsulfanylhept-2-enoate

Drug info:

PubChemData

Smile

C1[C@H]2COC(=O)[C@H]2C3=CC=CC=C31

DOS

IR

Vibrations