Geometry & MOs

Info

ID:	52160
PubChem CID:	12014955
Reduced:	NSO6C18H21 (1)
Stoich.:	ABC6D18E21 (1)
Weight, g/mol:	484.112664
ΔH_f, kcal/mol:	-180.09
Dipole, Da:	4.07
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-phenyl-2-thiocyanatopropanoyl)oxyethoxy]ethyl 3-phenyl-2-thiocyanatopropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(C(=O)OCCOCCOC(=O)C=C)SC#N

DOS

IR

Vibrations