Geometry & MOs

Info

ID:	50650
PubChem CID:	12013215
Reduced:	OC4H8 (2)
Stoich.:	AB4C8 (2)
Weight, g/mol:	452.208643
ΔH_f, kcal/mol:	-121.23
Dipole, Da:	4.16
IP(EA), eV:	-10.1(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-3-methoxy-4-methyl-5-(2-propan-2-yl-1,3-dithian-2-yl)-2-(2-trimethylsilyloxyethoxymethoxy)pentanal

Drug info:

PubChemData

Smile

CCC(CC(=O)C(C)C)O

DOS

IR

Vibrations