Geometry & MOs

Info

ID:	151403
PubChem CID:	53801210
Reduced:	OC9H14 (3)
Stoich.:	AB9C14 (3)
Weight, g/mol:	666.431566
ΔH_f, kcal/mol:	-192.96
Dipole, Da:	4.25
IP(EA), eV:	-9.33(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl(dimethyl)silyl]oxy-7-[(1R,2R)-3-hydroxy-1-methyl-2-octyl-5-(4-phenylbenzoyl)oxycyclopentyl]heptanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):