Geometry & MOs

Info

ID:	147850
PubChem CID:	53787508
Reduced:	NSO3C6H7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	522.20761
ΔH_f, kcal/mol:	-111.41
Dipole, Da:	6.49
IP(EA), eV:	-9.19(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5R,6R)-4,5-dibenzyl-3,4,5-trihydroxy-6-(1-hydroxy-2-phenylethyl)-2-methylsulfanyloxan-3-yl]ethanone

Drug info:

PubChemData

Smile

CCOC=C1C(=O)NC(=O)S1

DOS

IR

Vibrations