Geometry & MOs

Info

ID:	229743
PubChem CID:	87568757
Reduced:	BFN3O6C22H33 (1)
Stoich.:	ABC3D6E22F33 (1)
Weight, g/mol:	205.958601
ΔH_f, kcal/mol:	-357.51
Dipole, Da:	5.12
IP(EA), eV:	-8.58(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;O-methyl carbamothioate;carbamothioate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)N3CCN(CC3)C(=O)ONC(=O)OC(C)(C)C

DOS

IR

Vibrations