Geometry & MOs

Info

ID:	304712
PubChem CID:	124766085
Reduced:	ClNO10C18H28 (1)
Stoich.:	ABC10D18E28 (1)
Weight, g/mol:	453.140174
ΔH_f, kcal/mol:	-463.16
Dipole, Da:	6.21
IP(EA), eV:	-9.83(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H]([C@H]([C@H](O[C@H]1OCCOCCCl)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations