Geometry & MOs

Info

ID:	392100
PubChem CID:	135012942
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	453.218279
ΔH_f, kcal/mol:	-11.62
Dipole, Da:	3.51
IP(EA), eV:	-9.47(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-[(4-nitrophenyl)methoxy]acetate

Drug info:

PubChemData

Smile

C=CCC[C@@H](C1=CC=CC=C1)ON2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations