Geometry & MOs

Info

ID:	85396
PubChem CID:	49874736
Reduced:	ON5H7C8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	386.100168
ΔH_f, kcal/mol:	12.63
Dipole, Da:	0.98
IP(EA), eV:	-9.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-bis[(2-phenylacetyl)oxy]butanedioic acid

Drug info:

PubChemData

Smile

C1C2=C(C(=C(N=C2NC1=O)N)C#N)N

DOS

IR

Vibrations