Geometry & MOs

Info

ID:	218811
PubChem CID:	85090014
Reduced:	SiO3C13H24 (2)
Stoich.:	AB3C13D24 (2)
Weight, g/mol:	513.174102
ΔH_f, kcal/mol:	-331.64
Dipole, Da:	1.95
IP(EA), eV:	-8.86(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-1-[[3-phenyl-2-(quinolin-8-ylsulfonylcarbonylamino)propanoyl]oxyamino]butyl]boronic acid

Drug info:

PubChemData

Smile

CCOC(=C=C(CCC(=O)OC)CC(C(C=C)O[Si](C)(C)C(C)(C)C)C1(CO1)C)O[Si](C)(C)C

DOS

IR

Vibrations