Geometry & MOs

Info

ID:	189951
PubChem CID:	77931297
Reduced:	ClN3O4C29H30 (1)
Stoich.:	AB3C4D29E30 (1)
Weight, g/mol:	486.155764
ΔH_f, kcal/mol:	-88.88
Dipole, Da:	5.64
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-3-[[4-(6-ethoxypyridazin-3-yl)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)OC(=O)NC2=C(C=NN2C)C3=CC=C(C=C3)C4=CCC(C=C4)CCC(=O)OC

DOS

IR

Vibrations