Geometry & MOs

Info

ID:	396037
PubChem CID:	135027244
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-190.16
Dipole, Da:	4.12
IP(EA), eV:	-8.78(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[(2R,4S,6R)-2-(4-methoxyphenyl)-6-methyl-1,3-dioxan-4-yl]but-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](O[C@@H](O1)C2=CC=C(C=C2)OC)C/C=C/C(=O)OC

DOS

IR

Vibrations