Geometry & MOs

Info

ID:	425072
PubChem CID:	135125038
Reduced:	FN2O4C31H31 (1)
Stoich.:	AB2C4D31E31 (1)
Weight, g/mol:	402.076217
ΔH_f, kcal/mol:	-122.02
Dipole, Da:	4.42
IP(EA), eV:	-8.29(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethynyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC#CC(CC(=O)OC)C1=CC=C(C=C1)N[C@@H]2CCC3=C(C=CC(=C23)F)C4=CN=C(C=C4)OC5CCOC5

DOS

IR

Vibrations