Geometry & MOs

Info

ID:	46685
PubChem CID:	10526245
Reduced:	ON6H22C25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	421.046185
ΔH_f, kcal/mol:	93.96
Dipole, Da:	1.92
IP(EA), eV:	-8.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC3=NN(C(=C3C(=O)N2C4=CC=C(C=C4)C)N)C5=CC=CC=C5

DOS

IR

Vibrations