Geometry & MOs

Info

ID:	47137
PubChem CID:	10529904
Reduced:	NSiO3C32H43 (1)
Stoich.:	ABC3D32E43 (1)
Weight, g/mol:	517.05586
ΔH_f, kcal/mol:	-153.45
Dipole, Da:	3.15
IP(EA), eV:	-9.0(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-methyl-2-[(4-methylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](CC(=O)OC(C)(C)C)NCC1=CC=CC=C1)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations