Geometry & MOs

Info

ID:	170396
PubChem CID:	75227785
Reduced:	OSN5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	464.171414
ΔH_f, kcal/mol:	30.0
Dipole, Da:	2.12
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1CC(NN1)C2=C(N=C(S2)C3=CN=CC=C3)C

DOS

IR

Vibrations