Geometry & MOs

Info

ID:	218053
PubChem CID:	85088798
Reduced:	SO5C24H24 (1)
Stoich.:	AB5C24D24 (1)
Weight, g/mol:	424.224974
ΔH_f, kcal/mol:	-115.14
Dipole, Da:	5.92
IP(EA), eV:	-9.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[6-[3-[2-[3-(hydroxymethyl)-4-oxooxetan-2-yl]ethyl]phenyl]hexyl]benzoate

Drug info:

PubChemData

Smile

C1C=C(C(C(C1COCC2=CC=CC=C2)O)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations