Geometry & MOs

Info

ID:	305256
PubChem CID:	124767815
Reduced:	BrNOSC9H10 (2)
Stoich.:	ABCDE9F10 (2)
Weight, g/mol:	519.93125
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	6.18
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-(2,4-dibromophenyl)-2,5-dioxopyrrolidin-3-yl] (3S,5R)-3,5-dimethylpiperidine-1-carbodithioate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=S)S[C@H]2CC(=O)N(C2=O)C3=C(C=C(C=C3)Br)Br)C

DOS

IR

Vibrations