Geometry & MOs

Info

ID:	148380
PubChem CID:	53788042
Reduced:	OSN2F3H7C11 (1)
Stoich.:	ABC2D3E7F11 (1)
Weight, g/mol:	424.318875
ΔH_f, kcal/mol:	-102.47
Dipole, Da:	6.36
IP(EA), eV:	-9.09(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis(2-ethylhexyl)-2-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C(C#N)C(=S)NC1=C(C=C(C=C1F)F)F

DOS

IR

Vibrations