Geometry & MOs

Info

ID:	391635
PubChem CID:	135007413
Reduced:	SO3C23H34 (1)
Stoich.:	AB3C23D34 (1)
Weight, g/mol:	312.103145
ΔH_f, kcal/mol:	-122.23
Dipole, Da:	3.3
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 7-O-methyl (E,4R)-4-(furan-2-ylmethylsulfanyl)hept-2-enedioate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@@H](CCCCCCCC=C)SCC1=CC=C(C=C1)OC

DOS

IR

Vibrations