Geometry & MOs

Info

ID:	407342
PubChem CID:	135079889
Reduced:	NO3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	326.146884
ΔH_f, kcal/mol:	-50.57
Dipole, Da:	4.18
IP(EA), eV:	-8.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-chloro-5-phenylpentanal

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(=NC1=CC=C(C=C1)OC)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations