Geometry & MOs

Info

ID:	45052
PubChem CID:	10507544
Reduced:	SO7C33H44 (1)
Stoich.:	AB7C33D44 (1)
Weight, g/mol:	585.968785
ΔH_f, kcal/mol:	-258.98
Dipole, Da:	1.1
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[dibenzyl(pyrrole-1-carbothioylsulfanyl)stannyl] pyrrole-1-carbodithioate

Drug info:

PubChemData

Smile

CC1(O[C@H](C[C@H](O1)CC(C(=O)[C@H]2C[C@H](OC(O2)(C)C)CC=C)S(=O)C3=CC=CC=C3)CCOCC4=CC=CC=C4)C

DOS

IR

Vibrations