Geometry & MOs

Info

ID:	229240
PubChem CID:	87567240
Reduced:	NSiO3C16H31 (1)
Stoich.:	ABC3D16E31 (1)
Weight, g/mol:	372.130777
ΔH_f, kcal/mol:	-220.19
Dipole, Da:	4.01
IP(EA), eV:	-8.94(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(1,2-oxazol-5-ylmethylidene)-4-sulfanylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C/C=C/C1C[C@@H](CCC1NC(=O)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations