Geometry & MOs

Info

ID:	189725
PubChem CID:	77895980
Reduced:	F3N4O4C23H25 (1)
Stoich.:	A3B4C4D23E25 (1)
Weight, g/mol:	243.048463
ΔH_f, kcal/mol:	-283.2
Dipole, Da:	4.52
IP(EA), eV:	-9.58(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylpyrrolidine-2-carbothioic S-acid;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(C1)CC(C(=O)NC2=NC=C(N=C2)C(CO)O)N3CC4=C(C3=O)C=CC=C4C(F)(F)F

DOS

IR

Vibrations