Geometry & MOs

Info

ID:	380024
PubChem CID:	134964498
Reduced:	NO2F3C8H12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	300.13953
ΔH_f, kcal/mol:	-261.2
Dipole, Da:	6.28
IP(EA), eV:	-9.72(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 7-O-methyl (E,4R)-4-cyclopentylsulfanylhept-2-enedioate

Drug info:

PubChemData

Smile

C1CC(NC1)[C@H](CC(=O)O)C(F)(F)F

DOS

IR

Vibrations