Geometry & MOs

Info

ID:	53218
PubChem CID:	14709808
Reduced:	SO3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	430.214409
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	5.53
IP(EA), eV:	-8.16(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-formylphenyl) 4-[4-[(2R)-octan-2-yl]oxyphenyl]benzoate

Drug info:

PubChemData

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CC#C[S@](=O)C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OCOC

DOS

IR

Vibrations