Geometry & MOs

Info

ID:	61084
PubChem CID:	26705447
Reduced:	SF2N2O5H18C22 (1)
Stoich.:	AB2C2D5E18F22 (1)
Weight, g/mol:	381.021739
ΔH_f, kcal/mol:	-241.94
Dipole, Da:	3.25
IP(EA), eV:	-9.14(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

C1[C@@H](OC2=CC=CC=C21)C(=O)NCCN3C(=O)/C(=C/C4=CC=C(C=C4)OC(F)F)/SC3=O

DOS

IR

Vibrations