Geometry & MOs

Info

ID:	380749
PubChem CID:	134971283
Reduced:	O5C26H40 (1)
Stoich.:	A5B26C40 (1)
Weight, g/mol:	549.145171
ΔH_f, kcal/mol:	-205.01
Dipole, Da:	1.46
IP(EA), eV:	-9.42(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[(4R,5S)-5-ethenyl-2,2-dimethyl-5-[(2,2,2-trichloroacetyl)amino]-1,3-dioxan-4-yl]-3-phenylmethoxypropyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

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CCCCCC[C@H](CCC#C[C@H]1[C@H](COC(O1)(C)C)OCC2=CC=CC=C2)OCOC

DOS

IR

Vibrations