Geometry & MOs

Info

ID:	44532
PubChem CID:	10503919
Reduced:	OSi2C28H44 (1)
Stoich.:	AB2C28D44 (1)
Weight, g/mol:	454.058608
ΔH_f, kcal/mol:	-75.07
Dipole, Da:	0.14
IP(EA), eV:	-7.45(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(2,6-dichloro-4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2CC/C(=C\C3CCCCC3)/[C@@H]2C[C@H]1C[Si]C4=CC=CC=C4

DOS

IR

Vibrations