Geometry & MOs

Info

ID:	217436
PubChem CID:	85087819
Reduced:	NS2O6C14H21 (1)
Stoich.:	AB2C6D14E21 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-242.58
Dipole, Da:	4.21
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropoxy]-3H-pyridazine-6-thione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(O2)SCCN)O)O

DOS

IR

Vibrations