Geometry & MOs

Info

ID:	234461
PubChem CID:	92298479
Reduced:	SN4O4C15H19 (1)
Stoich.:	AB4C4D15E19 (1)
Weight, g/mol:	163.084458
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	6.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.844125
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2[C@@H](C(=O)N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)O)[C@@H](C)O

DOS

IR

Vibrations