Geometry & MOs

Info

ID:	162773
PubChem CID:	57569473
Reduced:	ClSF3O3N6H14C20 (1)
Stoich.:	ABC3D3E6F14G20 (1)
Weight, g/mol:	471.108914
ΔH_f, kcal/mol:	-120.74
Dipole, Da:	3.12
IP(EA), eV:	-9.62(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrimidin-5-yl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)NC(=O)C3=NC=NC(=C3)C#CCO

DOS

IR

Vibrations