Geometry & MOs

Info

ID:	143689
PubChem CID:	53248196
Reduced:	NO9C32H43 (1)
Stoich.:	AB9C32D43 (1)
Weight, g/mol:	224.041785
ΔH_f, kcal/mol:	-281.03
Dipole, Da:	2.02
IP(EA), eV:	-9.35(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;4-prop-2-enylpiperazine-1-carbodithioate

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@](O1)(O[C@H](C2)[C@@H]3[C@H](C[C@](O3)(C)[C@H](CO)O)C(=O)N4[C@H](COC4=O)CC5=CC=CC=C5)[C@H]6CC[C@](O6)(C)C=C

DOS

IR

Vibrations