Geometry & MOs

Info

ID:	217726
PubChem CID:	85088275
Reduced:	SO5C21H28 (1)
Stoich.:	AB5C21D28 (1)
Weight, g/mol:	394.228784
ΔH_f, kcal/mol:	-177.91
Dipole, Da:	6.73
IP(EA), eV:	-8.2(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)cyclopentene-1-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C(CC=C(C)C)(C=CS(=O)C1=CC=C(C=C1)C)C(=O)OCC

DOS

IR

Vibrations