Geometry & MOs

Info

ID:	304710
PubChem CID:	124766083
Reduced:	N3O4C23H33 (1)
Stoich.:	A3B4C23D33 (1)
Weight, g/mol:	453.140174
ΔH_f, kcal/mol:	-148.06
Dipole, Da:	4.25
IP(EA), eV:	-9.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C(=O)N1C4CC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations