Geometry & MOs

Info

ID:	191549
PubChem CID:	78162823
Reduced:	FSO10C35H37 (1)
Stoich.:	ABC10D35E37 (1)
Weight, g/mol:	256.131074
ΔH_f, kcal/mol:	-355.64
Dipole, Da:	3.49
IP(EA), eV:	-9.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1,4-dioxaspiro[4.5]decan-3-yl)-4-hydroxybut-2-enoate

Drug info:

PubChemData

Smile

CC1C2=CC(=O)C3(C(CC4C(C3C(C(C2(C)C)(C=C1OS(=O)(=O)C5=CC=CC=C5)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)F)C

DOS

IR

Vibrations