Geometry & MOs

Info

ID:	133644
PubChem CID:	51568636
Reduced:	BrNSO4H12C13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	328.085935
ΔH_f, kcal/mol:	-150.8
Dipole, Da:	3.67
IP(EA), eV:	-9.33(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)N(C1=O)C2=CC=C(C=C2)Br)SCCC(=O)O

DOS

IR

Vibrations