Geometry & MOs

Info

ID:	413005
PubChem CID:	135085949
Reduced:	NSC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	314.209324
ΔH_f, kcal/mol:	58.91
Dipole, Da:	1.66
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate

Drug info:

PubChemData

Smile

C=CCSCC1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations