Geometry & MOs

Info

ID:	43336
PubChem CID:	10321147
Reduced:	SO3N4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	442.107125
ΔH_f, kcal/mol:	-80.04
Dipole, Da:	2.65
IP(EA), eV:	-9.8(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-hexanoyloxy-3-[(2-sulfanylidene-1,3,2lambda5-dithiaphospholan-2-yl)oxy]propyl] hexanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C1=CSC(=N1)C#N)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations