Geometry & MOs

Info

ID:	226075
PubChem CID:	87322634
Reduced:	SiN2O2C10H31 (1)
Stoich.:	AB2C2D10E31 (1)
Weight, g/mol:	529.147213
ΔH_f, kcal/mol:	-148.96
Dipole, Da:	11.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750870
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-oxo-3-[2-[2-oxo-3-(propanoylamino)pyridin-1-yl]butanoylamino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

Drug info:

PubChemData

Smile

C[N+](C)(C)C.C[N+](C)(C)C.C[Si](C)(O)[O-]

DOS

IR

Vibrations