Geometry & MOs

Info

ID:	265619
PubChem CID:	103533656
Reduced:	OSF2N2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	268.104563
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	5.41
IP(EA), eV:	-8.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[(3-methoxypyrrolidin-1-yl)methyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

COC1CCN(C1)C2=C(C=C(C=C2F)C(=S)N)F

DOS

IR

Vibrations