Geometry & MOs

Info

ID:	243259
PubChem CID:	99217973
Reduced:	ClOSF3N3H11C16 (1)
Stoich.:	ABCD3E3F11G16 (1)
Weight, g/mol:	412.070463
ΔH_f, kcal/mol:	-126.11
Dipole, Da:	5.82
IP(EA), eV:	-8.77(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-2-oxochromen-6-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3C(=N2)Cl

DOS

IR

Vibrations