Geometry & MOs

Info

ID:	187942
PubChem CID:	77645942
Reduced:	ClSO4C26H35 (1)
Stoich.:	ABC4D26E35 (1)
Weight, g/mol:	644.429228
ΔH_f, kcal/mol:	-193.71
Dipole, Da:	2.23
IP(EA), eV:	-9.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-oxocyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(S1)CCCC2C(CC(C2C3=CC=C(C=C3)CCCCCCO)O)Cl

DOS

IR

Vibrations