Geometry & MOs

Info

ID:	222097
PubChem CID:	85294072
Reduced:	SN2O10C28H32 (1)
Stoich.:	AB2C10D28E32 (1)
Weight, g/mol:	590.363881
ΔH_f, kcal/mol:	-382.92
Dipole, Da:	6.22
IP(EA), eV:	-8.33(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[5-[2-[2-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(C(=C(N1)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC

DOS

IR

Vibrations