Geometry & MOs

Info

ID:	44525
PubChem CID:	10503897
Reduced:	N2O6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	454.210387
ΔH_f, kcal/mol:	-201.34
Dipole, Da:	4.66
IP(EA), eV:	-9.29(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C(=N\OC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)C)NC(=O)OC(C)(C)C)/C2=CC=CC=C2

DOS

IR

Vibrations