Geometry & MOs

Info

ID:	392282
PubChem CID:	135014108
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	457.158411
ΔH_f, kcal/mol:	-143.96
Dipole, Da:	2.12
IP(EA), eV:	-9.91(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-phenyl-2-[(3R,6R)-3,4,5-trihydroxy-6-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile

Drug info:

PubChemData

Smile

CC[C@H](C)CC1C(=O)CC(OC1(C)C)(C)C

DOS

IR

Vibrations