Geometry & MOs

Info

ID:	44461
PubChem CID:	10503656
Reduced:	O5C27H44 (1)
Stoich.:	A5B27C44 (1)
Weight, g/mol:	448.213729
ΔH_f, kcal/mol:	-230.07
Dipole, Da:	6.03
IP(EA), eV:	-9.28(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[tert-butyl(dimethyl)silyl]oxyheptyl]-1,3-dithian-2-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/CC/C(=C/COC1CCCCO1)/C)/CC/C=C(\C)/CCC2C(O2)(C)C

DOS

IR

Vibrations