Geometry & MOs

Info

ID:	195772
PubChem CID:	78732364
Reduced:	FNO4H22C24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	411.159434
ΔH_f, kcal/mol:	-149.57
Dipole, Da:	1.24
IP(EA), eV:	-8.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations