Geometry & MOs

Info

ID:	395422
PubChem CID:	135025416
Reduced:	NO9C22H29 (1)
Stoich.:	AB9C22D29 (1)
Weight, g/mol:	695.309432
ΔH_f, kcal/mol:	-353.88
Dipole, Da:	2.9
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(/C(=O)OCC)\N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@@H]1OC)O

DOS

IR

Vibrations