Geometry & MOs

Info

ID:	49404
PubChem CID:	11532980
Reduced:	NSi2O4C24H51 (1)
Stoich.:	AB2C4D24E51 (1)
Weight, g/mol:	473.114234
ΔH_f, kcal/mol:	-349.87
Dipole, Da:	2.35
IP(EA), eV:	-8.75(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-[[5-chloro-2-(3-pyridin-2-ylphenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCC=C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations