Geometry & MOs

Info

ID:	228220
PubChem CID:	87563685
Reduced:	S2F3N3O5H18C25 (1)
Stoich.:	A2B3C3D5E18F25 (1)
Weight, g/mol:	204.129634
ΔH_f, kcal/mol:	-246.99
Dipole, Da:	2.34
IP(EA), eV:	-8.69(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethanethioic S-acid

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N3C=CC=C(C3=N2)C4=CC=CC5=C4SC6=C5C=C(C=C6)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations