Geometry & MOs

Info

ID:	201291
PubChem CID:	79519759
Reduced:	FSN2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	267.084161
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	6.94
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[(5-oxopyrrolidin-2-yl)methylamino]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C2=C(C(=CC=C2)F)C(=S)N)C

DOS

IR

Vibrations