Geometry & MOs

Info

ID:	136027
PubChem CID:	51968147
Reduced:	FSN2O5C18H25 (1)
Stoich.:	ABC2D5E18F25 (1)
Weight, g/mol:	336.184921
ΔH_f, kcal/mol:	-255.61
Dipole, Da:	4.44
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(2-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCC1)OC(=O)CCCNS(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations