Geometry & MOs

Info

ID:	52161
PubChem CID:	12014956
Reduced:	N2S2O5C24H24 (1)
Stoich.:	A2B2C5D24E24 (1)
Weight, g/mol:	512.143964
ΔH_f, kcal/mol:	-96.57
Dipole, Da:	6.47
IP(EA), eV:	-9.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(4-methylphenyl)-2-thiocyanatopropanoyl]oxyethoxy]ethyl 3-(4-methylphenyl)-2-thiocyanatopropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)OCCOCCOC(=O)C(CC2=CC=CC=C2)SC#N)SC#N

DOS

IR

Vibrations