Geometry & MOs

Info

ID:	232004
PubChem CID:	87575100
Reduced:	ClON5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	439.174119
ΔH_f, kcal/mol:	46.14
Dipole, Da:	6.62
IP(EA), eV:	-8.93(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenyl)-1,3-thiazol-2-amine;(2S)-1-(oxan-4-ylmethyl)piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)C2=CC=C(C=C2)CNC3=NC(=NC=N3)Cl

DOS

IR

Vibrations