Geometry & MOs

Info

ID:	184653
PubChem CID:	77188706
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	506.208443
ΔH_f, kcal/mol:	-76.79
Dipole, Da:	1.9
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxycarbonyl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1CCCC(C1)SC2=CC=CC=N2

DOS

IR

Vibrations