Geometry & MOs

Info

ID:	221234
PubChem CID:	85261617
Reduced:	SN2O4H28C33 (1)
Stoich.:	AB2C4D28E33 (1)
Weight, g/mol:	546.261754
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	4.64
IP(EA), eV:	-8.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-but-2-en-2-yloxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1C(N(C(=O)N(C1=O)CC=CC2=CC3=CC=CC=C3O2)CC=CC4=CC5=CC=CC=C5O4)SC6=CC=CC=C6

DOS

IR

Vibrations