Geometry & MOs

Info

ID:	217637
PubChem CID:	85088144
Reduced:	NSO4C20H33 (1)
Stoich.:	ABC4D20E33 (1)
Weight, g/mol:	383.10704
ΔH_f, kcal/mol:	-200.44
Dipole, Da:	6.94
IP(EA), eV:	-8.89(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-3H-pyridazine-6-thione

Drug info:

PubChemData

Smile

C1CC(C1)CCC(C=CC2CCCC(=O)N2CCSCCCC(=O)O)O

DOS

IR

Vibrations