Geometry & MOs

Info

ID:	80810
PubChem CID:	49846134
Reduced:	SN5O5C28H43 (1)
Stoich.:	AB5C5D28E43 (1)
Weight, g/mol:	367.093498
ΔH_f, kcal/mol:	-146.96
Dipole, Da:	4.39
IP(EA), eV:	-8.79(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5S,6R)-2-[4-chloro-3-(1,2,4-triazin-3-ylmethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)N(CCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)CCCN4CCOCC4

DOS

IR

Vibrations