Geometry & MOs

Info

ID:	408070
PubChem CID:	135080825
Reduced:	NSC7O7H15 (1)
Stoich.:	ABC7D7E15 (1)
Weight, g/mol:	184.073559
ΔH_f, kcal/mol:	-316.69
Dipole, Da:	5.79
IP(EA), eV:	-10.51(0.01)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(E)-2-pentylbut-2-enedioate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1[C@@H](OC([C@H](C1O)O)CO)O

DOS

IR

Vibrations