Geometry & MOs

Info

ID:	399101
PubChem CID:	135037778
Reduced:	SiO2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	568.246104
ΔH_f, kcal/mol:	-158.64
Dipole, Da:	1.74
IP(EA), eV:	-9.49(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4S,5R)-4-hydroxy-5-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxolan-2-yl]-1-(3-methoxy-4-phenylmethoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CCC(COC(=O)C)[Si](CC)(CC)CC

DOS

IR

Vibrations