Geometry & MOs

Info

ID:	159981
PubChem CID:	57304278
Reduced:	NSO4C23H33 (1)
Stoich.:	ABC4D23E33 (1)
Weight, g/mol:	163.084458
ΔH_f, kcal/mol:	-145.43
Dipole, Da:	4.27
IP(EA), eV:	-8.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S)-3,4-bis(hydroxymethyl)pyrrolidine-2,5-diol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1OCOC)C(C)(C)C)C=C2C(=O)N(C=CS2)COC

DOS

IR

Vibrations