Geometry & MOs

Info

ID:	341773
PubChem CID:	127264466
Reduced:	O2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	630.431566
ΔH_f, kcal/mol:	-203.32
Dipole, Da:	3.92
IP(EA), eV:	-9.96(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3R,4R)-2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-(oxan-2-yloxy)-3-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]methanol

Drug info:

PubChemData

Smile

C1CCOC(C1)O[C@@H]2C[C@@H]3CC(=O)C[C@@H]3[C@H]2CO

DOS

IR

Vibrations