Geometry & MOs

Info

ID:	385850
PubChem CID:	134980146
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	302.136553
ΔH_f, kcal/mol:	-104.4
Dipole, Da:	1.39
IP(EA), eV:	-9.26(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations