Geometry & MOs

Info

ID:	43470
PubChem CID:	10321345
Reduced:	S2N4O5H18C19 (1)
Stoich.:	A2B4C5D18E19 (1)
Weight, g/mol:	446.139924
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	6.98
IP(EA), eV:	-9.84(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=CC=C1)S(=O)(=O)N(C2=O)CN3C=C(N=N3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations