Geometry & MOs

Info

ID:	383578
PubChem CID:	134975372
Reduced:	NSO6C20H33 (1)
Stoich.:	ABC6D20E33 (1)
Weight, g/mol:	302.136553
ΔH_f, kcal/mol:	-291.12
Dipole, Da:	5.94
IP(EA), eV:	-9.96(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-4,5-diacetyloxy-3,6-dimethyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC[C@@H]([C@H]1CCC[C@H](O1)[C@H](C(=O)N2[C@@H]3C[C@H]4CC[C@@]3(C4(C)C)CS2(=O)=O)O)O

DOS

IR

Vibrations