Geometry & MOs

Info

ID:	312635
PubChem CID:	126607052
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	293.104542
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	7.07
IP(EA), eV:	-9.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6S,7R,7aR)-2-[[ethylamino(hydroxy)methyl]amino]-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

Drug info:

PubChemData

Smile

CC1C=C(C=CC1C#N)C2N(O2)C(=O)OC(C)(C)C

DOS

IR

Vibrations