Geometry & MOs

Info

ID:	383179
PubChem CID:	134974751
Reduced:	N2O4C16H25 (1)
Stoich.:	A2B4C16D25 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-166.03
Dipole, Da:	5.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.990434
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,6R)-3-acetyloxy-6-[(E)-benzylideneamino]oxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CC2(C=CC(=O)C(=C2)O)[N+](C1)(C)C

DOS

IR

Vibrations