Geometry & MOs

Info

ID:	215085
PubChem CID:	85084131
Reduced:	SnO4N5C33H47 (1)
Stoich.:	AB4C5D33E47 (1)
Weight, g/mol:	696.0865
ΔH_f, kcal/mol:	-96.35
Dipole, Da:	6.06
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-benzoyloxy-2-[2,2-bis(benzylsulfanyl)ethyl]-3-iodobutyl] benzoate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C=CC1C2C(C(O1)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)OC(O2)(C)C

DOS

IR

Vibrations