Geometry & MOs

Info

ID:	73007
PubChem CID:	48416793
Reduced:	O2F3N6H11C12 (1)
Stoich.:	A2B3C6D11E12 (1)
Weight, g/mol:	377.055816
ΔH_f, kcal/mol:	-139.41
Dipole, Da:	6.16
IP(EA), eV:	-9.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN1C=CN=C1C(CC(=O)N2C(=C(C=N2)C#N)N)(C(F)(F)F)O

DOS

IR

Vibrations