Geometry & MOs

Info

ID:	124884
PubChem CID:	50901337
Reduced:	ClNOH18C23 (1)
Stoich.:	ABCD18E23 (1)
Weight, g/mol:	651.294451
ΔH_f, kcal/mol:	40.04
Dipole, Da:	3.03
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2S,3R,4S,5S,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C[C@H](C2=CC(=CC=C2)Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations