Geometry & MOs

Info

ID:	226496
PubChem CID:	87457590
Reduced:	ClN3O3S3C23H26 (1)
Stoich.:	AB3C3D3E23F26 (1)
Weight, g/mol:	302.055898
ΔH_f, kcal/mol:	-75.74
Dipole, Da:	5.36
IP(EA), eV:	-8.35(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1CC2=CC=NC=C2)C3=CC4=C(C(=C3)Cl)OCC(C4(SC)SC)SC)C

DOS

IR

Vibrations