Geometry & MOs

Info

ID:	175085
PubChem CID:	75853470
Reduced:	FN2O2H9C10 (2)
Stoich.:	AB2C2D9E10 (2)
Weight, g/mol:	430.06283
ΔH_f, kcal/mol:	-106.5
Dipole, Da:	5.7
IP(EA), eV:	-9.38(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-acetyl-1-[1-(3-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carbonyl]oxy-4-iminopent-2-en-2-olate

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1C(F)F)OC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

DOS

IR

Vibrations