Geometry & MOs

Info

ID:	307628
PubChem CID:	125307819
Reduced:	ClN4O8C16H17 (1)
Stoich.:	AB4C8D16E17 (1)
Weight, g/mol:	544.304028
ΔH_f, kcal/mol:	-269.34
Dipole, Da:	8.73
IP(EA), eV:	-10.2(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-3-phenylmethoxypropan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@H]([C@@H]([C@H](O1)N2CN=C3C2=NC(=NC3=O)Cl)OC(=O)C)OC(=O)C

DOS

IR

Vibrations