Geometry & MOs

Info

ID:	395420
PubChem CID:	135025407
Reduced:	ON3H6C8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	667.278132
ΔH_f, kcal/mol:	179.98
Dipole, Da:	0.51
IP(EA), eV:	-9.33(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[[(2S,3R,4R,5S,6S)-2,4,5,6-tetrakis(phenylmethoxy)oxan-3-yl]amino]but-2-enedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2N=C/C(=C/3\C=NN([N+]3=O)C4=CC=CC=C4)/N2[O-]

DOS

IR

Vibrations