Geometry & MOs

Info

ID:	46595
PubChem CID:	10525464
Reduced:	FSiO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	407.224263
ΔH_f, kcal/mol:	-31.62
Dipole, Da:	4.17
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethylsulfanyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[Si](C)(C)C#CC1=CN(N=C1)C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

DOS

IR

Vibrations