Geometry & MOs

Info

ID:	189796
PubChem CID:	77906732
Reduced:	NaS3N5O6H18C19 (1)
Stoich.:	AB3C5D6E18F19 (1)
Weight, g/mol:	403.0735
ΔH_f, kcal/mol:	-138.16
Dipole, Da:	27.95
IP(EA), eV:	-7.16(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-carboxydithian-1-yl)-4,4,4-trifluorobutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N(C1C2N(C1=O)CC(CS2)(CSC3=N[N+](=CC=C3)[O-])C(=O)[O-])S(=O)C4=CC=CC=N4.[Na+]

DOS

IR

Vibrations