Geometry & MOs

Info

ID:	52156
PubChem CID:	12014951
Reduced:	NSO5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	363.114044
ΔH_f, kcal/mol:	-137.21
Dipole, Da:	4.52
IP(EA), eV:	-9.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-prop-2-enoyloxyethoxy)ethyl 3-(2-methylphenyl)-2-thiocyanatopropanoate

Drug info:

PubChemData

Smile

C=CC(=O)OCCOCCOC(=O)C(CC1=CC=CC=C1)SC#N

DOS

IR

Vibrations