Geometry & MOs

Info

ID:	46705
PubChem CID:	10526449
Reduced:	O5N6C20H22 (1)
Stoich.:	A5B6C20D22 (1)
Weight, g/mol:	426.179087
ΔH_f, kcal/mol:	-45.79
Dipole, Da:	4.01
IP(EA), eV:	-9.33(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,4R)-2-[(5-benzamido-1,3-dioxan-2-yl)methyl]-1,3-dioxan-4-yl]benzamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)NC2=C(C(=NN2C3=CC=CC=C3)C)C(=O)OCC

DOS

IR

Vibrations