Geometry & MOs

Info

ID:	364844
PubChem CID:	127316285
Reduced:	SN2O2F3C13H19 (1)
Stoich.:	AB2C2D3E13F19 (1)
Weight, g/mol:	360.11775
ΔH_f, kcal/mol:	-273.74
Dipole, Da:	3.08
IP(EA), eV:	-8.51(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-5-oxo-N-(thian-4-ylmethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(NC(=O)C1C(=O)NCC2CCSCC2)C(F)(F)F

DOS

IR

Vibrations