Geometry & MOs

Info

ID:	223562
PubChem CID:	85335242
Reduced:	NO4C26H41 (1)
Stoich.:	AB4C26D41 (1)
Weight, g/mol:	431.216171
ΔH_f, kcal/mol:	-217.61
Dipole, Da:	6.37
IP(EA), eV:	-9.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-acetamido-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)C(=O)NC(CCC(=O)O)CC1=CC=CC=C1

DOS

IR

Vibrations