Geometry & MOs

Info

ID:	302830
PubChem CID:	124397048
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	348.142032
ΔH_f, kcal/mol:	-1.95
Dipole, Da:	2.55
IP(EA), eV:	-8.37(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5R,6S)-6-[[(1R,4aS,7S,7aR)-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CCCOC1=CN=CC(=C1)N2C[C@@H]3CNC[C@H]3C2

DOS

IR

Vibrations