Geometry & MOs

Info

ID:	395570
PubChem CID:	135025866
Reduced:	SN2O6H14C19 (1)
Stoich.:	AB2C6D14E19 (1)
Weight, g/mol:	695.309432
ΔH_f, kcal/mol:	-92.88
Dipole, Da:	8.46
IP(EA), eV:	-9.75(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(C=CC3=CC=CC=C3C2=O)N(C1=O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations