Geometry & MOs

Info

ID:	323262
PubChem CID:	126673901
Reduced:	ClO6C21H25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	564.511761
ΔH_f, kcal/mol:	-248.82
Dipole, Da:	1.9
IP(EA), eV:	-9.1(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(16-methoxyhexadecylidene)-3-(15-methoxypentadecyl)oxetan-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3[C@@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)Cl

DOS

IR

Vibrations