Geometry & MOs

Info

ID:	398841
PubChem CID:	135035703
Reduced:	N3O5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	336.157288
ΔH_f, kcal/mol:	-227.74
Dipole, Da:	1.88
IP(EA), eV:	-9.34(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,6S)-3-acetyloxy-6-(2,3-dimethylphenoxy)-2-methyloxan-4-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)NC(=O)OC(C)(C)C)C)OC(=O)OC(C)(C)C

DOS

IR

Vibrations