Geometry & MOs

Info

ID:	134159
PubChem CID:	51655679
Reduced:	NP2C3O6H9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	251.030411
ΔH_f, kcal/mol:	-371.8
Dipole, Da:	7.12
IP(EA), eV:	-11.23(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(Z)-4-(5-hydroxy-2-nitroanilino)-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

C(CP(=O)(O)[O-])[C@@H]([NH3+])P(=O)([O-])[O-]

DOS

IR

Vibrations