Geometry & MOs

Info

ID:	218888
PubChem CID:	85090118
Reduced:	O7C30H50 (1)
Stoich.:	A7B30C50 (1)
Weight, g/mol:	522.283522
ΔH_f, kcal/mol:	-387.5
Dipole, Da:	7.25
IP(EA), eV:	-10.01(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-8-methyl-4-phenylmethoxynon-6-ynethioate

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations