Geometry & MOs

Info

ID:	302820
PubChem CID:	124396912
Reduced:	ClNSO4C15H16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	399.95745
ΔH_f, kcal/mol:	-141.32
Dipole, Da:	6.28
IP(EA), eV:	-8.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5S,6R)-2-(4-chlorophenoxy)-6-(iodomethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC[C@H](C)OC1=C(C=C(C=C1Cl)/C=C/2\C(=O)NC(=O)S2)OC

DOS

IR

Vibrations