Geometry & MOs

Info

ID:	379313
PubChem CID:	134357796
Reduced:	NF2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	315.98811
ΔH_f, kcal/mol:	-237.05
Dipole, Da:	3.76
IP(EA), eV:	-9.51(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4-bromophenyl)sulfanylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C(C[C@H]1CC[C@@H](CO1)OCC2=CC=CC=C2)(F)F)NC(=O)C

DOS

IR

Vibrations