Geometry & MOs

Info

ID:	425177
PubChem CID:	135125427
Reduced:	F3N3O3H26C27 (1)
Stoich.:	A3B3C3D26E27 (1)
Weight, g/mol:	470.102431
ΔH_f, kcal/mol:	-242.68
Dipole, Da:	2.55
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC(=CC=C3)NC(=O)C)NC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations