Geometry & MOs

Info

ID:	395525
PubChem CID:	135025708
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	164.068473
ΔH_f, kcal/mol:	-158.26
Dipole, Da:	2.48
IP(EA), eV:	-8.68(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-cyclohexane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@@H](CC1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations