Geometry & MOs

Info

ID:	384784
PubChem CID:	134977663
Reduced:	SiO3C19H26 (1)
Stoich.:	AB3C19D26 (1)
Weight, g/mol:	402.204239
ΔH_f, kcal/mol:	-63.04
Dipole, Da:	4.09
IP(EA), eV:	-8.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2S,4R)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentyl]hept-6-yn-2-yl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@]12CCCC(C1=O)[C@H](C#C/C=C\C#C2)O

DOS

IR

Vibrations