Geometry & MOs

Info

ID:	21163
PubChem CID:	587377
Reduced:	ClON2S2F3H10C19 (1)
Stoich.:	ABC2D2E3F10G19 (1)
Weight, g/mol:	437.987518
ΔH_f, kcal/mol:	-93.56
Dipole, Da:	5.59
IP(EA), eV:	-8.96(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(SC3=C2N=C(S3)NC(=O)C4=CC=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations