Geometry & MOs

Info

ID:	44577
PubChem CID:	10504162
Reduced:	O10C23H24 (1)
Stoich.:	A10B23C24 (1)
Weight, g/mol:	460.170888
ΔH_f, kcal/mol:	-298.64
Dipole, Da:	5.88
IP(EA), eV:	-8.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R,5S)-4-(acetyloxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methyl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC

DOS

IR

Vibrations