Geometry & MOs

Info

ID:	195329
PubChem CID:	78673017
Reduced:	NO3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	390.040287
ΔH_f, kcal/mol:	-42.87
Dipole, Da:	6.54
IP(EA), eV:	-9.85(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-[[(2S,3R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations