Geometry & MOs

Info

ID:	44257
PubChem CID:	10502251
Reduced:	SiO3C26H32 (1)
Stoich.:	AB3C26D32 (1)
Weight, g/mol:	420.097581
ΔH_f, kcal/mol:	-130.71
Dipole, Da:	2.04
IP(EA), eV:	-9.18(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(C)O[C@H](C)CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations