Geometry & MOs

Info

ID:	376415
PubChem CID:	134222428
Reduced:	O2F6C35H38 (1)
Stoich.:	A2B6C35D38 (1)
Weight, g/mol:	300.157288
ΔH_f, kcal/mol:	-366.06
Dipole, Da:	4.39
IP(EA), eV:	-9.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4R)-2-tert-butyl-4-[(E)-4-hydroxy-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(CC2)C(OC3=CC=C(C=C3)C4=CC(=C(C=C4)C5=CC(=C(C(=C5)F)OCF)F)F)(F)F

DOS

IR

Vibrations