Geometry & MOs

Info

ID:	406579
PubChem CID:	135078100
Reduced:	OC5H5 (6)
Stoich.:	AB5C5 (6)
Weight, g/mol:	546.202046
ΔH_f, kcal/mol:	-158.69
Dipole, Da:	2.39
IP(EA), eV:	-9.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2-pent-4-enoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl] 2-chloroacetate

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@H](O1)C(=O)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C=C\C(=O)OC)C

DOS

IR

Vibrations