Geometry & MOs

Info

ID:	382124
PubChem CID:	134973072
Reduced:	O6C23H28 (1)
Stoich.:	A6B23C28 (1)
Weight, g/mol:	400.188589
ΔH_f, kcal/mol:	-241.41
Dipole, Da:	3.83
IP(EA), eV:	-8.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-6-[[(2S,4S)-4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-dioxan-2-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC1([C@@H](O[C@@H](C2=C1C=CC(=C2)OC)CC3=C(C(=CC=C3)O)C(=O)OC)CCO)C

DOS

IR

Vibrations