Geometry & MOs

Info

ID:	124997
PubChem CID:	50906782
Reduced:	ON7C16H17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	517.216565
ΔH_f, kcal/mol:	100.82
Dipole, Da:	8.38
IP(EA), eV:	-8.65(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-(4-methoxyphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

C[C@H]1CCN(C[C@H]1C2=NNC3=CN=C4C(=CC=N4)N32)C(=O)CC#N

DOS

IR

Vibrations