Geometry & MOs

Info

ID:	308417
PubChem CID:	125327252
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	289.062008
ΔH_f, kcal/mol:	-18.54
Dipole, Da:	5.74
IP(EA), eV:	-9.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/[C@@H]1CC=CO1)/C2=NC(=NN2)C3=CN=CC=C3

DOS

IR

Vibrations