Geometry & MOs

Info

ID:	145497
PubChem CID:	53535919
Reduced:	SO2N3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	499.137734
ΔH_f, kcal/mol:	-90.55
Dipole, Da:	2.2
IP(EA), eV:	-8.53(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCNC(=O)C2CCCN2C(=O)CC3=CC=CS3

DOS

IR

Vibrations