Geometry & MOs

Info

ID:	33528
PubChem CID:	7886836
Reduced:	SN4O4H16C17 (1)
Stoich.:	AB4C4D16E17 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	3.33
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NN=NN2C3=CC=C(C=C3)O

DOS

IR

Vibrations