Geometry & MOs

Info

ID:	54227
PubChem CID:	16955340
Reduced:	SF3O3N4H11C13 (1)
Stoich.:	AB3C3D4E11F13 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-224.3
Dipole, Da:	6.58
IP(EA), eV:	-9.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]-(3-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=CS2)C(=O)NCC(=O)N)OC(F)(F)F

DOS

IR

Vibrations