Geometry & MOs

Info

ID:	243255
PubChem CID:	99217959
Reduced:	ClSO2F3N4H14C20 (1)
Stoich.:	ABC2D3E4F14G20 (1)
Weight, g/mol:	387.032303
ΔH_f, kcal/mol:	-113.31
Dipole, Da:	5.66
IP(EA), eV:	-8.76(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-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=NN(C(=C2)C3=CC=CO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations