Geometry & MOs

Info

ID:	351650
PubChem CID:	127280717
Reduced:	O2S2F3N4C14H15 (1)
Stoich.:	A2B2C3D4E14F15 (1)
Weight, g/mol:	324.071468
ΔH_f, kcal/mol:	-172.91
Dipole, Da:	4.99
IP(EA), eV:	-8.92(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NC(=CS1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations