Geometry & MOs

Info

ID:	133643
PubChem CID:	51568343
Reduced:	SO2N4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	356.96704
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	1.71
IP(EA), eV:	-8.58(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCCC1)SC2=NN=C(N2C3CCCCC3)C4=CC=CO4

DOS

IR

Vibrations