Geometry & MOs

Info

ID:	245565
PubChem CID:	99453886
Reduced:	FO3N6H21C23 (1)
Stoich.:	AB3C6D21E23 (1)
Weight, g/mol:	426.071738
ΔH_f, kcal/mol:	23.36
Dipole, Da:	9.16
IP(EA), eV:	-9.06(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C4=CC=CC=C4F

DOS

IR

Vibrations