Geometry & MOs

Info

ID:	161638
PubChem CID:	57392212
Reduced:	ON2S2C8H8 (1)
Stoich.:	AB2C2D8E8 (1)
Weight, g/mol:	362.266839
ΔH_f, kcal/mol:	0.84
Dipole, Da:	4.07
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-tridecoxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC2C(=O)NC(=S)N2

DOS

IR

Vibrations