Geometry & MOs

Info

ID:	407375
PubChem CID:	135079953
Reduced:	NSO2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	872.367281
ΔH_f, kcal/mol:	29.28
Dipole, Da:	5.39
IP(EA), eV:	-9.23(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-[(1S,2S,3R,4R)-1,2,3,4,5-pentakis(phenylmethoxy)pentyl]-5-phenylpyridazine-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CCCC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C#CC3=CC=CC=C3

DOS

IR

Vibrations