Geometry & MOs

Info

ID:	327909
PubChem CID:	126691295
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	338.170494
ΔH_f, kcal/mol:	116.2
Dipole, Da:	1.23
IP(EA), eV:	-8.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(4,4,4-trifluorobutyl)hept-6-enoic acid

Drug info:

PubChemData

Smile

C/C/1=C/CC/C=C(\N2C1=NC(=N2)CCC3=C(N4C=CC5=C(C4=N3)CCCO5)C)/C

DOS

IR

Vibrations