Geometry & MOs

Info

ID:	305137
PubChem CID:	124766569
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	-125.19
Dipole, Da:	4.92
IP(EA), eV:	-8.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-(4-methoxyanilino)-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](C[C@@H]1C)OC(=O)C2=C(NC(=S)N[C@H]2C3=CC=CC=C3OC)C

DOS

IR

Vibrations