Geometry & MOs

Info

ID:	390572
PubChem CID:	134999764
Reduced:	OC4H8 (3)
Stoich.:	AB4C8 (3)
Weight, g/mol:	486.151946
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	2.94
IP(EA), eV:	-9.46(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-N-[(3R,4S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCCCCC[C@@H]1CC(OO1)(CC)O

DOS

IR

Vibrations