Geometry & MOs

Info

ID:	303531
PubChem CID:	124489866
Reduced:	N2F3O4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	312.01095
ΔH_f, kcal/mol:	-332.03
Dipole, Da:	7.4
IP(EA), eV:	-9.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-amino-5-bromobenzoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CN(CCNC(=O)C)C(=O)C1=CC=C(C=C1)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations