Geometry & MOs

Info

ID:	252308
PubChem CID:	103110453
Reduced:	FSO2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	295.146681
ΔH_f, kcal/mol:	-69.42
Dipole, Da:	5.5
IP(EA), eV:	-8.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-carbamothioyl-5,6-dimethylpyridazin-3-yl)amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNS(=O)(=O)C2=CN=CC(=C2)F

DOS

IR

Vibrations